Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 3658 | 10879 | 53 | None | 1 | 18 | Human | 9.5 | pAC50 | = | 9.5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 517 | 10879 | 53 | None | 1 | 18 | Human | 9.5 | pAC50 | = | 9.5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 5709 | 10879 | 53 | None | 1 | 18 | Human | 9.5 | pAC50 | = | 9.5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL312448 | 10879 | 53 | None | 1 | 18 | Human | 9.5 | pAC50 | = | 9.5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB06694 | 10879 | 53 | None | 1 | 18 | Human | 9.5 | pAC50 | = | 9.5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 11079 | 9510 | 63 | None | 5 | 7 | Human | 9.2 | pAC50 | = | 9.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3369 | 9510 | 63 | None | 5 | 7 | Human | 9.2 | pAC50 | = | 9.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4436 | 9510 | 63 | None | 5 | 7 | Human | 9.2 | pAC50 | = | 9.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5509 | 9510 | 63 | None | 5 | 7 | Human | 9.2 | pAC50 | = | 9.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL761 | 9510 | 63 | None | 5 | 7 | Human | 9.2 | pAC50 | = | 9.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB06711 | 9510 | 63 | None | 5 | 7 | Human | 9.2 | pAC50 | = | 9.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2142 | 9870 | 58 | None | -1 | 18 | Human | 9.1 | pAC50 | = | 9.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4920903 | 9870 | 58 | None | -1 | 18 | Human | 9.1 | pAC50 | = | 9.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 502 | 9870 | 58 | None | -1 | 18 | Human | 9.1 | pAC50 | = | 9.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5775 | 9870 | 58 | None | -1 | 18 | Human | 9.1 | pAC50 | = | 9.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL597 | 9870 | 58 | None | -1 | 18 | Human | 9.1 | pAC50 | = | 9.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00692 | 9870 | 58 | None | -1 | 18 | Human | 9.1 | pAC50 | = | 9.1 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 11079 | 9510 | 63 | None | 5 | 7 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3369 | 9510 | 63 | None | 5 | 7 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4436 | 9510 | 63 | None | 5 | 7 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5509 | 9510 | 63 | None | 5 | 7 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL761 | 9510 | 63 | None | 5 | 7 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB06711 | 9510 | 63 | None | 5 | 7 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3036780 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| 46780481 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| 9903970 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3187365 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3544974 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL504548 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| DB06216 | 114308 | 20 | None | -7 | 15 | Human | 8.9 | pAC50 | = | 8.9 | Functional | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1038/s41467-023-40064-9 | ||
| 2803 | 7742 | 58 | None | -3 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 516 | 7742 | 58 | None | -3 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 704 | 7742 | 58 | None | -3 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL134 | 7742 | 58 | None | -3 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00575 | 7742 | 58 | None | -3 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 129211 | 10521 | 78 | None | -1 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 2562 | 10521 | 78 | None | -1 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 488 | 10521 | 78 | None | -1 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| DB00706 | 10521 | 78 | None | -1 | 14 | Human | 8.8 | pAC50 | = | 8.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1038/s41467-023-40064-9 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 8.7 | pAC50 | = | 8.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 8.7 | pAC50 | = | 8.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 8.7 | pAC50 | = | 8.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 8.7 | pAC50 | = | 8.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 8.7 | pAC50 | = | 8.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 16351 | 109507 | 47 | None | -17 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL304902 | 109507 | 47 | None | -17 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB13256 | 109507 | 47 | None | -17 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 9429 | 208912 | 58 | None | -5 | 18 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL609109 | 208912 | 58 | None | -5 | 18 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB01622 | 208912 | 58 | None | -5 | 18 | Human | 6.0 | pAC50 | = | 6 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3599 | 23651 | 88 | None | 1 | 3 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 407 | 20 | 0 | 4 | 5.7 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL125 | 23651 | 88 | None | 1 | 3 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 407 | 20 | 0 | 4 | 5.7 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 3062316 | 40349 | 121 | None | -1 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1421 | 40349 | 121 | None | -1 | 10 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | ||
| 54676537 | 159633 | 72 | None | - | 1 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 353 | 5 | 1 | 6 | 3.5 | CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL397420 | 159633 | 72 | None | - | 1 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 353 | 5 | 1 | 6 | 3.5 | CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O | 10.1038/s41467-023-40064-9 | ||
| 2162 | 48288 | 100 | None | -5 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1491 | 48288 | 100 | None | -5 | 22 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 3783 | 20777 | 23 | None | -27 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 301 | 7 | 3 | 4 | 2.9 | CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1197051 | 20777 | 23 | None | -27 | 6 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 301 | 7 | 3 | 4 | 2.9 | CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 6989215 | 8267 | 80 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 10.1038/s41467-023-40064-9 | ||
| 7391 | 8267 | 80 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 10.1038/s41467-023-40064-9 | ||
| 92974 | 8267 | 80 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 10.1038/s41467-023-40064-9 | ||
| 971 | 8267 | 80 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103827 | 8267 | 80 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 10.1038/s41467-023-40064-9 | ||
| DB06262 | 8267 | 80 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 10.1038/s41467-023-40064-9 | ||
| 242 | 7258 | 124 | None | -120 | 32 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 7258 | 124 | None | -120 | 32 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 7258 | 124 | None | -120 | 32 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 7258 | 124 | None | -120 | 32 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 7258 | 124 | None | -120 | 32 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 2683 | 109665 | 25 | None | -812 | 24 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305906 | 109665 | 25 | None | -812 | 24 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL334255 | 109665 | 25 | None | -812 | 24 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 31101 | 7516 | 40 | None | -199 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 35 | 7516 | 40 | None | -199 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 403 | 7516 | 40 | None | -199 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493 | 7516 | 40 | None | -199 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01200 | 7516 | 40 | None | -199 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 9417 | 140290 | 54 | None | -33 | 15 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1524185 | 140290 | 54 | None | -33 | 15 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL370753 | 140290 | 54 | None | -33 | 15 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 22530 | 62904 | 58 | None | -3 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1600878 | 62904 | 58 | None | -3 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1625607 | 62904 | 58 | None | -3 | 9 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | 10.1038/s41467-023-40064-9 | ||
| 60860 | 212418 | 30 | None | -21 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 275 | 2 | 3 | 1 | 1.3 | N=C(N)NCc1cccc(I)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1615777 | 212418 | 30 | None | -21 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 275 | 2 | 3 | 1 | 1.3 | N=C(N)NCc1cccc(I)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL818 | 212418 | 30 | None | -21 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 275 | 2 | 3 | 1 | 1.3 | N=C(N)NCc1cccc(I)c1 | 10.1038/s41467-023-40064-9 | ||
| 5354 | 162435 | 21 | None | -51 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL404849 | 162435 | 21 | None | -51 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2441 | 105401 | 24 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 315 | 1 | 1 | 3 | 2.6 | O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL277062 | 105401 | 24 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 315 | 1 | 1 | 3 | 2.6 | O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1 | 10.1038/s41467-023-40064-9 | ||
| 104850 | 10103 | 96 | None | -1071 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 4150 | 10103 | 96 | None | -1071 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 743 | 10103 | 96 | None | -1071 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL111 | 10103 | 96 | None | -1071 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB06155 | 10103 | 96 | None | -1071 | 28 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 1056 | 10144 | 116 | None | -19 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
| 2405 | 10144 | 116 | None | -19 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
| 77999 | 10144 | 116 | None | -19 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL121 | 10144 | 116 | None | -19 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
| DB00412 | 10144 | 116 | None | -19 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | ||
| 4499 | 66549 | 99 | None | -6 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1726 | 66549 | 99 | None | -6 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
| 103 | 10925 | 61 | None | 1 | 22 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2875 | 10925 | 61 | None | 1 | 22 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 5736 | 10925 | 61 | None | 1 | 22 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL285802 | 10925 | 61 | None | 1 | 22 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB09225 | 10925 | 61 | None | 1 | 22 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 10184665 | 10763 | 51 | None | -645 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| 4799 | 10763 | 51 | None | -645 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| 7353 | 10763 | 51 | None | -645 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1198857 | 10763 | 51 | None | -645 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| DB09082 | 10763 | 51 | None | -645 | 10 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | ||
| 2267 | 7347 | 71 | None | -45 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 271 | 7347 | 71 | None | -45 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7121 | 7347 | 71 | None | -45 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL639 | 7347 | 71 | None | -45 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00972 | 7347 | 71 | None | -45 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2274 | 9947 | 58 | None | -24 | 37 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4917 | 9947 | 58 | None | -24 | 37 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 7279 | 9947 | 58 | None | -24 | 37 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL728 | 9947 | 58 | None | -24 | 37 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00433 | 9947 | 58 | None | -24 | 37 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 2601 | 10552 | 33 | None | -354 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 443951 | 10552 | 33 | None | -354 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 56 | 10552 | 33 | None | -354 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL73151 | 10552 | 33 | None | -354 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| DB13399 | 10552 | 33 | None | -354 | 17 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 11626560 | 207716 | 94 | None | -1 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL601719 | 207716 | 94 | None | -1 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 10071196 | 9898 | 79 | None | -831 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| 5142 | 9898 | 79 | None | -831 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| 8423 | 9898 | 79 | None | -831 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2111101 | 9898 | 79 | None | -831 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| DB05316 | 9898 | 79 | None | -831 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| 3675 | 14506 | 68 | None | -91 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 136 | 3 | 2 | 2 | 0.7 | NNCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1089 | 14506 | 68 | None | -91 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 136 | 3 | 2 | 2 | 0.7 | NNCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 10545 | 41 | None | -363 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 10545 | 41 | None | -363 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 10545 | 41 | None | -363 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 2470 | 10425 | 50 | None | -13803 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3300 | 10425 | 50 | None | -13803 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5265 | 10425 | 50 | None | -13803 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 99 | 10425 | 50 | None | -13803 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267930 | 10425 | 50 | None | -13803 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 180 | 7189 | 56 | None | -63 | 38 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 200 | 7189 | 56 | None | -63 | 38 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2160 | 7189 | 56 | None | -63 | 38 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL629 | 7189 | 56 | None | -63 | 38 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00321 | 7189 | 56 | None | -63 | 38 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4822 | 51806 | 47 | None | -16 | 10 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152408 | 51806 | 47 | None | -16 | 10 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 16351 | 109507 | 47 | None | -17 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL304902 | 109507 | 47 | None | -17 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB13256 | 109507 | 47 | None | -17 | 17 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 343 | 0 | 0 | 4 | 4.1 | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 37264 | 196201 | 24 | None | 8 | 3 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL513301 | 196201 | 24 | None | 8 | 3 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 643976 | 21290 | 30 | None | -2 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 456 | 7 | 6 | 10 | -1.6 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201794 | 21290 | 30 | None | -2 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 456 | 7 | 6 | 10 | -1.6 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C | 10.1038/s41467-023-40064-9 | ||
| 72093 | 41835 | 9 | None | -10 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433361 | 41835 | 9 | None | -10 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103773 | 41835 | 9 | None | -10 | 28 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 65016 | 16981 | 86 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 505 | 11 | 3 | 7 | 2.4 | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL116 | 16981 | 86 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 505 | 11 | 3 | 7 | 2.4 | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | 10.1038/s41467-023-40064-9 | ||
| 22323 | 22071 | 32 | None | -3 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 9571037 | 22071 | 32 | None | -3 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213553 | 22071 | 32 | None | -3 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 47319 | 33237 | 35 | None | -4 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 929 | 24 | 0 | 12 | 8.1 | COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1360 | 33237 | 35 | None | -4 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 929 | 24 | 0 | 12 | 8.1 | COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 3191 | 109635 | 97 | None | -660 | 33 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305660 | 109635 | 97 | None | -660 | 33 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB11742 | 109635 | 97 | None | -660 | 33 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2372 | 113245 | 40 | None | -144 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL314010 | 113245 | 40 | None | -144 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 216416 | 118358 | 48 | None | -141 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL328190 | 118358 | 48 | None | -141 | 23 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 23480 | 130868 | 23 | None | -15 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 5 | 1 | 1 | 5.0 | CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL363295 | 130868 | 23 | None | -15 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 5 | 1 | 1 | 5.0 | CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 135412795 | 51525 | 23 | None | -7 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 296 | 1 | 1 | 3 | 3.4 | O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1521495 | 51525 | 23 | None | -7 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 296 | 1 | 1 | 3 | 3.4 | O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1 | 10.1038/s41467-023-40064-9 | ||
| 2805 | 168669 | 38 | None | -3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 329 | 6 | 0 | 2 | 4.9 | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415087 | 168669 | 38 | None | -3 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 329 | 6 | 0 | 2 | 4.9 | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3053 | 211913 | 95 | None | 1 | 7 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 393 | 16 | 5 | 8 | -2.7 | O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL780 | 211913 | 95 | None | 1 | 7 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 393 | 16 | 5 | 8 | -2.7 | O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 1024 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| 5359318 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| 556 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| 65326 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| 9294 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1523964 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL211456 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2146102 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01364 | 8352 | 27 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 10.1038/s41467-023-40064-9 | ||
| 119570 | 9933 | 96 | None | -3890 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| 2233 | 9933 | 96 | None | -3890 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| 953 | 9933 | 96 | None | -3890 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL301265 | 9933 | 96 | None | -3890 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| DB00413 | 9933 | 96 | None | -3890 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1038/s41467-023-40064-9 | ||
| 2782 | 38774 | 67 | None | -3801 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1407943 | 38774 | 67 | None | -3801 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3216363 | 38774 | 67 | None | -3801 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4528 | 104902 | 80 | None | -5 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 2.8 | CN1Cc2c(N)cccc2C(c2ccccc2)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL273575 | 104902 | 80 | None | -5 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 2.8 | CN1Cc2c(N)cccc2C(c2ccccc2)C1 | 10.1038/s41467-023-40064-9 | ||
| 5311017 | 127382 | 11 | None | -13 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3545985 | 127382 | 11 | None | -13 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00865 | 127382 | 11 | None | -13 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 26248 | 168318 | 102 | None | -1 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41286 | 168318 | 102 | None | -1 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1630575 | 63117 | 0 | None | -2 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | ||
| 443869 | 84916 | 45 | None | 1 | 10 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103761 | 84916 | 45 | None | 1 | 10 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| 68555 | 109889 | 21 | None | -3 | 7 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL307739 | 109889 | 21 | None | -3 | 7 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 307 | 7 | 1 | 5 | 2.6 | CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1 | 10.1038/s41467-023-40064-9 | ||
| 15942715 | 84968 | 19 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 446 | 5 | 1 | 5 | 4.0 | CCCCOC(=O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105087 | 84968 | 19 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 446 | 5 | 1 | 5 | 4.0 | CCCCOC(=O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 6918178 | 21217 | 44 | None | 1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 484 | 4 | 1 | 5 | 4.1 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200908 | 21217 | 44 | None | 1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 484 | 4 | 1 | 5 | 4.1 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 667492 | 50679 | 43 | None | 1 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 234 | 1 | 2 | 3 | 0.2 | CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1512080 | 50679 | 43 | None | 1 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 234 | 1 | 2 | 3 | 0.2 | CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 3652 | 10869 | 79 | None | -2089 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | ||
| 57 | 10869 | 79 | None | -2089 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | ||
| 60809 | 10869 | 79 | None | -2089 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL21536 | 10869 | 79 | None | -2089 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | ||
| DB15357 | 10869 | 79 | None | -2089 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1038/s41467-023-40064-9 | ||
| 213046 | 9164 | 59 | None | -6 | 17 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 4168 | 9164 | 59 | None | -6 | 17 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 7461 | 9164 | 59 | None | -6 | 17 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1237021 | 9164 | 59 | None | -6 | 17 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| DB08815 | 9164 | 59 | None | -6 | 17 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 3351 | 101777 | 52 | None | -2 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 2.8 | O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL254857 | 101777 | 52 | None | -2 | 6 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 2.8 | O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 6917906 | 74547 | 21 | None | -6 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 887 | 35 | 10 | 12 | 1.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1908331 | 74547 | 21 | None | -6 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 887 | 35 | 10 | 12 | 1.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 98941 | 53724 | 17 | None | -66 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL154126 | 53724 | 17 | None | -66 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4743867 | 220812 | 14 | None | -4466 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||||
| 3474 | 44875 | 57 | None | -4 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL146095 | 44875 | 57 | None | -4 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | ||
| 49843517 | 85069 | 41 | None | -40 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2107831 | 85069 | 41 | None | -40 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | ||
| 3103 | 48432 | 49 | None | -138 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1492 | 48432 | 49 | None | -138 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB01146 | 48432 | 49 | None | -138 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(OC(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 16222096 | 87258 | 67 | None | -50 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2146883 | 87258 | 67 | None | -50 | 7 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | ||
| 2580 | 85170 | 18 | None | -660 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2110775 | 85170 | 18 | None | -660 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 448537 | 167029 | 89 | None | -54 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL411 | 167029 | 89 | None | -54 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 16362 | 9899 | 71 | None | -14 | 35 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 9899 | 71 | None | -14 | 35 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 9899 | 71 | None | -14 | 35 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 9899 | 71 | None | -14 | 35 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 9899 | 71 | None | -14 | 35 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3634 | 90883 | 51 | None | 1 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 7 | 2 | 5 | 3.7 | CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22077 | 90883 | 51 | None | 1 | 9 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 7 | 2 | 5 | 3.7 | CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| 3478 | 12198 | 103 | None | -758 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 445 | 7 | 3 | 6 | 2.1 | Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1073 | 12198 | 103 | None | -758 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 445 | 7 | 3 | 6 | 2.1 | Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 | 10.1038/s41467-023-40064-9 | ||
| 72287 | 67835 | 38 | None | 1 | 9 | Human | 7.9 | pAC50 | = | 7.9 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1764 | 67835 | 38 | None | 1 | 9 | Human | 7.9 | pAC50 | = | 7.9 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| DB01403 | 67835 | 38 | None | 1 | 9 | Human | 7.9 | pAC50 | = | 7.9 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 19675 | 58444 | 43 | None | -12 | 15 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1584 | 58444 | 43 | None | -12 | 15 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 2284 | 9956 | 33 | None | -3 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 9956 | 33 | None | -3 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 9956 | 33 | None | -3 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 9956 | 33 | None | -3 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 9956 | 33 | None | -3 | 34 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2398 | 7741 | 62 | None | -72 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2801 | 7741 | 62 | None | -72 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 701 | 7741 | 62 | None | -72 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415 | 7741 | 62 | None | -72 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB01242 | 7741 | 62 | None | -72 | 36 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 55483 | 211876 | 40 | None | -8 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL77622 | 211876 | 40 | None | -8 | 11 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | ||
| 2869 | 10924 | 89 | None | -5011 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 5 | 2 | 3 | 1.9 | CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 60 | 10924 | 89 | None | -5011 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 5 | 2 | 3 | 1.9 | CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 60857 | 10924 | 89 | None | -5011 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 5 | 2 | 3 | 1.9 | CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1185 | 10924 | 89 | None | -5011 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 5 | 2 | 3 | 1.9 | CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00315 | 10924 | 89 | None | -5011 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 287 | 5 | 2 | 3 | 1.9 | CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 4762 | 21241 | 27 | None | 1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 177 | 1 | 1 | 2 | 1.7 | CC1NCCOC1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201208 | 21241 | 27 | None | 1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 177 | 1 | 1 | 2 | 1.7 | CC1NCCOC1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5556 | 210039 | 27 | None | -33 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL646 | 210039 | 27 | None | -33 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | 10.1038/s41467-023-40064-9 | ||
| 2218 | 22055 | 23 | None | -5 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213033 | 22055 | 23 | None | -5 | 12 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| 2780 | 117306 | 36 | None | -1479 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL325109 | 117306 | 36 | None | -1479 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB13511 | 117306 | 36 | None | -1479 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 373 | 5 | 2 | 4 | 3.3 | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 9417 | 140290 | 54 | None | -33 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1524185 | 140290 | 54 | None | -33 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL370753 | 140290 | 54 | None | -33 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5365247 | 145207 | 33 | None | -100 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL37744 | 145207 | 33 | None | -100 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 10.1038/s41467-023-40064-9 | ||
| 2318 | 161635 | 29 | None | -20 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL400599 | 161635 | 29 | None | -20 | 15 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2771 | 201796 | 74 | None | -46 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200781 | 201796 | 74 | None | -46 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL549 | 201796 | 74 | None | -46 | 16 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 3950 | 196287 | 109 | None | -4 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.3 | O=NN(CCCl)C(=O)NC1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL514 | 196287 | 109 | None | -4 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 233 | 4 | 1 | 3 | 2.3 | O=NN(CCCl)C(=O)NC1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 37 | 7565 | 60 | None | -141 | 12 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 460 | 7565 | 60 | None | -141 | 12 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 54746 | 7565 | 60 | None | -141 | 12 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201087 | 7565 | 60 | None | -141 | 12 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00248 | 7565 | 60 | None | -141 | 12 | Human | 6.9 | pAC50 | = | 6.9 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 1599 | 9120 | 50 | None | -7585 | 21 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3955 | 9120 | 50 | None | -7585 | 21 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7215 | 9120 | 50 | None | -7585 | 21 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL841 | 9120 | 50 | None | -7585 | 21 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00836 | 9120 | 50 | None | -7585 | 21 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2723 | 160825 | 108 | None | -7 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL398440 | 160825 | 108 | None | -7 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 7745 | 93 | None | -17 | 43 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 7745 | 93 | None | -17 | 43 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 7745 | 93 | None | -17 | 43 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 7745 | 93 | None | -17 | 43 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 7745 | 93 | None | -17 | 43 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5351322 | 101566 | 38 | None | 1 | 9 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL25336 | 101566 | 38 | None | 1 | 9 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 3117 | 214620 | 103 | None | -20 | 24 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL964 | 214620 | 103 | None | -20 | 24 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 10.1038/s41467-023-40064-9 | ||
| 9818306 | 21191 | 15 | None | -2 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 3.8 | CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200430 | 21191 | 15 | None | -2 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 3.8 | CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| 2398 | 7741 | 62 | None | -72 | 36 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2801 | 7741 | 62 | None | -72 | 36 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 701 | 7741 | 62 | None | -72 | 36 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415 | 7741 | 62 | None | -72 | 36 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB01242 | 7741 | 62 | None | -72 | 36 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2337 | 10030 | 77 | None | -4 | 29 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 50 | 10030 | 77 | None | -4 | 29 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5002 | 10030 | 77 | None | -4 | 29 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL716 | 10030 | 77 | None | -4 | 29 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01224 | 10030 | 77 | None | -4 | 29 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1530 | 8963 | 50 | None | -912 | 25 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3827 | 8963 | 50 | None | -912 | 25 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 7206 | 8963 | 50 | None | -912 | 25 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL534 | 8963 | 50 | None | -912 | 25 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00920 | 8963 | 50 | None | -912 | 25 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 243 | 9976 | 91 | None | -1288 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| 3052762 | 9976 | 91 | None | -1288 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| 3502 | 9976 | 91 | None | -1288 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL117287 | 9976 | 91 | None | -1288 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| DB06480 | 9976 | 91 | None | -1288 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | 10.1038/s41467-023-40064-9 | ||
| 2351 | 11072 | 49 | None | -3 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1008 | 11072 | 49 | None | -3 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1257078 | 11072 | 49 | None | -3 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| 21772 | 85174 | 31 | None | -1000 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 293 | 4 | 0 | 1 | 4.5 | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2110816 | 85174 | 31 | None | -1000 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 293 | 4 | 0 | 1 | 4.5 | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C | 10.1038/s41467-023-40064-9 | ||
| 4413 | 104849 | 57 | None | -4 | 15 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL273264 | 104849 | 57 | None | -4 | 15 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 60151560 | 174221 | 39 | None | -1 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 439 | 11 | 1 | 5 | 5.3 | CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4297530 | 174221 | 39 | None | -1 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 439 | 11 | 1 | 5 | 5.3 | CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 216239 | 30567 | 118 | None | -8 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200485 | 30567 | 118 | None | -8 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1336 | 30567 | 118 | None | -8 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| 1830 | 9368 | 44 | None | -416 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 207 | 9368 | 44 | None | -416 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 23897 | 9368 | 44 | None | -416 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL460 | 9368 | 44 | None | -416 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| DB01618 | 9368 | 44 | None | -416 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 196122 | 119365 | 55 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 478 | 13 | 1 | 6 | 4.5 | CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3301681 | 119365 | 55 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 478 | 13 | 1 | 6 | 4.5 | CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O | 10.1038/s41467-023-40064-9 | ||
| 392622 | 63086 | 95 | None | -8 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL163 | 63086 | 95 | None | -8 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| 1570 | 64073 | 97 | None | 2 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 127 | 0 | 1 | 3 | 1.5 | On1ccccc1=S | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1650619 | 64073 | 97 | None | 2 | 3 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 127 | 0 | 1 | 3 | 1.5 | On1ccccc1=S | 10.1038/s41467-023-40064-9 | ||
| 1548955 | 95356 | 20 | None | -43 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2800 | 95356 | 20 | None | -43 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2355051 | 95356 | 20 | None | -43 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1155 | 8410 | 53 | None | -257 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3343 | 8410 | 53 | None | -257 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 557 | 8410 | 53 | None | -257 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL32800 | 8410 | 53 | None | -257 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB01288 | 8410 | 53 | None | -257 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 9270 | 21202 | 66 | None | -5 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 384 | 2 | 0 | 4 | 4.4 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200624 | 21202 | 66 | None | -5 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 384 | 2 | 0 | 4 | 4.4 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 3158 | 63041 | 27 | None | -125 | 28 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 63041 | 27 | None | -125 | 28 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB01142 | 63041 | 27 | None | -125 | 28 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 60663 | 182448 | 42 | None | -8 | 12 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1421212 | 182448 | 42 | None | -8 | 12 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1534525 | 182448 | 42 | None | -8 | 12 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL45816 | 182448 | 42 | None | -8 | 12 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| 5994 | 11413 | 88 | None | -5 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL103 | 11413 | 88 | None | -5 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| 4034 | 62596 | 55 | None | -12 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1623 | 62596 | 55 | None | -12 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00737 | 62596 | 55 | None | -12 | 18 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| 441383 | 27105 | 57 | None | -165 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1306 | 27105 | 57 | None | -165 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2470 | 10425 | 50 | None | -13803 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3300 | 10425 | 50 | None | -13803 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5265 | 10425 | 50 | None | -13803 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 99 | 10425 | 50 | None | -13803 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267930 | 10425 | 50 | None | -13803 | 23 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5440 | 35497 | 37 | None | -1995 | 16 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1378 | 35497 | 37 | None | -1995 | 16 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| DB00372 | 35497 | 37 | None | -1995 | 16 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 3926 | 214020 | 40 | None | -2 | 18 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL92870 | 214020 | 40 | None | -2 | 18 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 31703 | 201496 | 63 | None | -25 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL359744 | 201496 | 63 | None | -25 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL53463 | 201496 | 63 | None | -25 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 24826799 | 17570 | 104 | None | -50 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1171837 | 17570 | 104 | None | -50 | 20 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| 2162 | 48288 | 100 | None | -5 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1491 | 48288 | 100 | None | -5 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 5584 | 209990 | 44 | None | -9 | 9 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL644 | 209990 | 44 | None | -9 | 9 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB00726 | 209990 | 44 | None | -9 | 9 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 4735 | 201894 | 96 | None | -199 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL361506 | 201894 | 96 | None | -199 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL55 | 201894 | 96 | None | -199 | 14 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL508338 | 195745 | 0 | None | -181 | 15 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 1712 | 9270 | 43 | None | 1 | 8 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | ||
| 4078 | 9270 | 43 | None | 1 | 8 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | ||
| 7227 | 9270 | 43 | None | 1 | 8 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1088 | 9270 | 43 | None | 1 | 8 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | ||
| DB00933 | 9270 | 43 | None | 1 | 8 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 10.1038/s41467-023-40064-9 | ||
| 2865 | 10915 | 73 | None | -23 | 20 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 59 | 10915 | 73 | None | -23 | 20 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60854 | 10915 | 73 | None | -23 | 20 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL708 | 10915 | 73 | None | -23 | 20 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00246 | 10915 | 73 | None | -23 | 20 | Human | 7.8 | pAC50 | = | 7.8 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 10531 | 8202 | 21 | None | -301 | 26 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 121 | 8202 | 21 | None | -301 | 26 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 888 | 8202 | 21 | None | -301 | 26 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1732 | 8202 | 21 | None | -301 | 26 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| DB00320 | 8202 | 21 | None | -301 | 26 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 2286 | 9957 | 51 | None | -37 | 28 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 4927 | 9957 | 51 | None | -37 | 28 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7282 | 9957 | 51 | None | -37 | 28 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL643 | 9957 | 51 | None | -37 | 28 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01069 | 9957 | 51 | None | -37 | 28 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 56959 | 38330 | 103 | None | -3 | 9 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1404 | 38330 | 103 | None | -3 | 9 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1526084 | 38330 | 103 | None | -3 | 9 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 213 | 10625 | 55 | None | -18 | 22 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2717 | 10625 | 55 | None | -18 | 22 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5533 | 10625 | 55 | None | -18 | 22 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL621 | 10625 | 55 | None | -18 | 22 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00656 | 10625 | 55 | None | -18 | 22 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 6231 | 36543 | 33 | None | -6 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 0 | 1 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1387 | 36543 | 33 | None | -6 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 0 | 1 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 2247 | 7293 | 81 | None | -26 | 42 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 7293 | 81 | None | -26 | 42 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 7293 | 81 | None | -26 | 42 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 7293 | 81 | None | -26 | 42 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 7293 | 81 | None | -26 | 42 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 10180 | 105645 | 47 | None | -33 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279014 | 105645 | 47 | None | -33 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| 9324 | 16010 | 60 | None | -3 | 6 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL110691 | 16010 | 60 | None | -3 | 6 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 1662 | 195484 | 80 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 162 | 4 | 3 | 3 | -0.3 | CC(O)(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL50444 | 195484 | 80 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 162 | 4 | 3 | 3 | -0.3 | CC(O)(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 25151352 | 147384 | 67 | None | -4 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3813873 | 147384 | 67 | None | -4 | 11 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | ||
| 4046 | 9261 | 33 | None | -35 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4252 | 9261 | 33 | None | -35 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL416956 | 9261 | 33 | None | -35 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00358 | 9261 | 33 | None | -35 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 54454 | 12030 | 88 | None | -7 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1064 | 12030 | 88 | None | -7 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
| 9822750 | 85184 | 65 | None | -4 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2111097 | 85184 | 65 | None | -4 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 119369 | 9384 | 74 | None | -602 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 2197 | 9384 | 74 | None | -602 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 4004 | 9384 | 74 | None | -602 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL420762 | 9384 | 74 | None | -602 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 2005 | 85005 | 91 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 173 | 6 | 2 | 2 | 0.8 | CC(=O)NCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105922 | 85005 | 91 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 173 | 6 | 2 | 2 | 0.8 | CC(=O)NCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 2162 | 48288 | 100 | None | -5 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1491 | 48288 | 100 | None | -5 | 22 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 12555 | 24733 | 53 | None | -38 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 309 | 7 | 0 | 4 | 3.4 | CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL12610 | 24733 | 53 | None | -38 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 309 | 7 | 0 | 4 | 3.4 | CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 10133 | 7697 | 78 | None | -6 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 145714624 | 7697 | 78 | None | -6 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 4361 | 7697 | 78 | None | -6 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 608 | 7697 | 78 | None | -6 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL240597 | 7697 | 78 | None | -6 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB06777 | 7697 | 78 | None | -6 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 657202 | 19302 | 6 | None | -524 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 282 | 6 | 0 | 2 | 3.5 | CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1186610 | 19302 | 6 | None | -524 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 282 | 6 | 0 | 2 | 3.5 | CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C | 10.1038/s41467-023-40064-9 | ||
| 9911830 | 25920 | 100 | None | 1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 454 | 6 | 2 | 7 | 5.6 | COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1289494 | 25920 | 100 | None | 1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 454 | 6 | 2 | 7 | 5.6 | COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 5281718 | 41024 | 84 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 390 | 5 | 6 | 8 | 0.4 | OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142652 | 41024 | 84 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 390 | 5 | 6 | 8 | 0.4 | OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| 4041 | 106287 | 18 | None | -19 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 270 | 1 | 0 | 2 | 3.6 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL28333 | 106287 | 18 | None | -19 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 270 | 1 | 0 | 2 | 3.6 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 2695 | 10613 | 81 | None | -2 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5504 | 10613 | 81 | None | -2 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 7310 | 10613 | 81 | None | -2 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL770 | 10613 | 81 | None | -2 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00797 | 10613 | 81 | None | -2 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 45138674 | 23418 | 50 | None | 1 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 572 | 6 | 1 | 7 | 5.7 | COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1241951 | 23418 | 50 | None | 1 | 6 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 572 | 6 | 1 | 7 | 5.7 | COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| 8569 | 29415 | 91 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 244 | 3 | 2 | 4 | 2.3 | COc1ccc(C(=O)c2ccccc2O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1326877 | 29415 | 91 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 244 | 3 | 2 | 4 | 2.3 | COc1ccc(C(=O)c2ccccc2O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 24821094 | 73868 | 93 | None | -6 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1873475 | 73868 | 93 | None | -6 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 10879 | 53 | None | 1 | 18 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 517 | 10879 | 53 | None | 1 | 18 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 5709 | 10879 | 53 | None | 1 | 18 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL312448 | 10879 | 53 | None | 1 | 18 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB06694 | 10879 | 53 | None | 1 | 18 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 1028 | 7079 | 71 | None | 1 | 19 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 139148732 | 7079 | 71 | None | 1 | 19 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 479 | 7079 | 71 | None | 1 | 19 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5816 | 7079 | 71 | None | 1 | 19 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL679 | 7079 | 71 | None | 1 | 19 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00668 | 7079 | 71 | None | 1 | 19 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 2146 | 9874 | 67 | None | -20 | 15 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 485 | 9874 | 67 | None | -20 | 15 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 6041 | 9874 | 67 | None | -20 | 15 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1215 | 9874 | 67 | None | -20 | 15 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00388 | 9874 | 67 | None | -20 | 15 | Human | 8.6 | pAC50 | = | 8.6 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 4151 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 493 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 5312125 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24778 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| DB06207 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 150 | 9287 | 21 | None | -194 | 17 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 1764 | 9287 | 21 | None | -194 | 17 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 8226 | 9287 | 21 | None | -194 | 17 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201356 | 9287 | 21 | None | -194 | 17 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| DB00353 | 9287 | 21 | None | -194 | 17 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 7745 | 93 | None | -17 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 7745 | 93 | None | -17 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 7745 | 93 | None | -17 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 7745 | 93 | None | -17 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 7745 | 93 | None | -17 | 43 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 31729 | 212563 | 10 | None | -131 | 7 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL83063 | 212563 | 10 | None | -131 | 7 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 202 | 8290 | 77 | None | -3 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60835 | 8290 | 77 | None | -3 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 972 | 8290 | 77 | None | -3 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1175 | 8290 | 77 | None | -3 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00476 | 8290 | 77 | None | -3 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 448537 | 167029 | 89 | None | -54 | 31 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL411 | 167029 | 89 | None | -54 | 31 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3035016 | 19366 | 50 | None | -1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 483 | 3 | 5 | 10 | 0.6 | CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1186894 | 19366 | 50 | None | -1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 483 | 3 | 5 | 10 | 0.6 | CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
| 89683805 | 161212 | 67 | None | -6760 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 473 | 6 | 3 | 8 | 4.3 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3989908 | 161212 | 67 | None | -6760 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 473 | 6 | 3 | 8 | 4.3 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | 10.1038/s41467-023-40064-9 | ||
| 44439 | 172466 | 19 | None | -63 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 377 | 9 | 3 | 5 | 2.8 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c([S+](C)[O-])c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL424518 | 172466 | 19 | None | -63 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 377 | 9 | 3 | 5 | 2.8 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c([S+](C)[O-])c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 444795 | 146777 | 105 | None | -57 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL38 | 146777 | 105 | None | -57 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | 10.1038/s41467-023-40064-9 | ||
| 5489013 | 64179 | 32 | None | -21 | 6 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 313 | 8 | 2 | 4 | 3.0 | COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1651913 | 64179 | 32 | None | -21 | 6 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 313 | 8 | 2 | 4 | 3.0 | COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1 | 10.1038/s41467-023-40064-9 | ||
| 1923 | 111501 | 136 | None | -3 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 145 | 0 | 1 | 2 | 1.9 | Oc1cccc2cccnc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL310555 | 111501 | 136 | None | -3 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 145 | 0 | 1 | 2 | 1.9 | Oc1cccc2cccnc12 | 10.1038/s41467-023-40064-9 | ||
| 1753 | 9282 | 28 | None | 2 | 4 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1038/s41467-023-40064-9 | ||
| 483 | 9282 | 28 | None | 2 | 4 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1038/s41467-023-40064-9 | ||
| 6082 | 9282 | 28 | None | 2 | 4 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL524 | 9282 | 28 | None | 2 | 4 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1038/s41467-023-40064-9 | ||
| DB00723 | 9282 | 28 | None | 2 | 4 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1038/s41467-023-40064-9 | ||
| 2726 | 7706 | 68 | None | -29 | 42 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 621 | 7706 | 68 | None | -29 | 42 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 83 | 7706 | 68 | None | -29 | 42 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL71 | 7706 | 68 | None | -29 | 42 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00477 | 7706 | 68 | None | -29 | 42 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 10545 | 41 | None | -363 | 36 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 10545 | 41 | None | -363 | 36 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 10545 | 41 | None | -363 | 36 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 214 | 10632 | 58 | None | -22 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2740 | 10632 | 58 | None | -22 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5566 | 10632 | 58 | None | -22 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 66064 | 10632 | 58 | None | -22 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL422 | 10632 | 58 | None | -22 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00831 | 10632 | 58 | None | -22 | 28 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 26248 | 168318 | 102 | None | -1 | 11 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41286 | 168318 | 102 | None | -1 | 11 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | ||
| 11289 | 21210 | 67 | None | -2 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.9 | COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200761 | 21210 | 67 | None | -2 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.9 | COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2880 | 104784 | 49 | None | -13 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL27289 | 104784 | 49 | None | -13 | 9 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| 3356 | 210147 | 81 | None | -33 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200822 | 210147 | 81 | None | -33 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL652 | 210147 | 81 | None | -33 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 54684141 | 214779 | 82 | None | 1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 270 | 2 | 2 | 3 | 3.0 | C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL973 | 214779 | 82 | None | 1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 270 | 2 | 2 | 3 | 3.0 | C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1499 | 8872 | 47 | None | -44668 | 38 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 3779 | 8872 | 47 | None | -44668 | 38 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 536 | 8872 | 47 | None | -44668 | 38 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434 | 8872 | 47 | None | -44668 | 38 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01064 | 8872 | 47 | None | -44668 | 38 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 16564 | 211774 | 32 | None | -144 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 207 | 2 | 3 | 3 | 0.3 | N=C(N)NCC1COc2ccccc2O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76725 | 211774 | 32 | None | -144 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 207 | 2 | 3 | 3 | 0.3 | N=C(N)NCC1COc2ccccc2O1 | 10.1038/s41467-023-40064-9 | ||
| 2028 | 9753 | 80 | None | -10715 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| 359 | 9753 | 80 | None | -10715 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| 4634 | 9753 | 80 | None | -10715 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1231 | 9753 | 80 | None | -10715 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| DB01062 | 9753 | 80 | None | -10715 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| 34040 | 34858 | 72 | None | -7244 | 11 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1372950 | 34858 | 72 | None | -7244 | 11 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | ||
| DB00699 | 34858 | 72 | None | -7244 | 11 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | ||
| 3081361 | 100709 | 123 | None | -35 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24828 | 100709 | 123 | None | -35 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5344 | 180252 | 101 | None | -3981 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 267 | 3 | 2 | 5 | 1.7 | Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL453 | 180252 | 101 | None | -3981 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 267 | 3 | 2 | 5 | 1.7 | Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C | 10.1038/s41467-023-40064-9 | ||
| 3157 | 8252 | 71 | None | -38 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7170 | 8252 | 71 | None | -38 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 954 | 8252 | 71 | None | -38 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL707 | 8252 | 71 | None | -38 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00590 | 8252 | 71 | None | -38 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2142 | 9870 | 58 | None | -1 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4920903 | 9870 | 58 | None | -1 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 502 | 9870 | 58 | None | -1 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5775 | 9870 | 58 | None | -1 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL597 | 9870 | 58 | None | -1 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00692 | 9870 | 58 | None | -1 | 18 | Human | 6.7 | pAC50 | = | 6.7 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 1890 | 9535 | 49 | None | -4 | 24 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 4449 | 9535 | 49 | None | -4 | 24 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 7247 | 9535 | 49 | None | -4 | 24 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL623 | 9535 | 49 | None | -4 | 24 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01149 | 9535 | 49 | None | -4 | 24 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 10453870 | 80437 | 62 | None | -1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 404 | 4 | 4 | 6 | 2.1 | OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2018096 | 80437 | 62 | None | -1 | 2 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 404 | 4 | 4 | 6 | 2.1 | OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| 9419 | 42696 | 35 | None | -72 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1442422 | 42696 | 35 | None | -72 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB13225 | 42696 | 35 | None | -72 | 7 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 295 | 3 | 0 | 3 | 3.0 | CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 4601 | 213526 | 35 | None | -1148 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201023 | 213526 | 35 | None | -1148 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL900 | 213526 | 35 | None | -1148 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01173 | 213526 | 35 | None | -1148 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 8609 | 21216 | 66 | None | -1 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 229 | 2 | 2 | 4 | 2.2 | Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200868 | 21216 | 66 | None | -1 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 229 | 2 | 2 | 4 | 2.2 | Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 5205 | 84962 | 58 | None | -2 | 8 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 261 | 0 | 0 | 1 | 3.8 | CN1CCC2=C(C1)c1ccccc1Cc1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2104895 | 84962 | 58 | None | -2 | 8 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 261 | 0 | 0 | 1 | 3.8 | CN1CCC2=C(C1)c1ccccc1Cc1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 1209 | 8439 | 75 | None | -91 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 203 | 8439 | 75 | None | -91 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3386 | 8439 | 75 | None | -91 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41 | 8439 | 75 | None | -91 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00472 | 8439 | 75 | None | -91 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2202 | 9906 | 96 | None | -389 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| 4850 | 9906 | 96 | None | -389 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| 49 | 9906 | 96 | None | -389 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1371770 | 9906 | 96 | None | -389 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| DB12478 | 9906 | 96 | None | -389 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 10.1038/s41467-023-40064-9 | ||
| 39941 | 125084 | 54 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 301 | 3 | 1 | 3 | 4.3 | CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL340978 | 125084 | 54 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 301 | 3 | 1 | 3 | 4.3 | CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 | 10.1038/s41467-023-40064-9 | ||
| 5280453 | 212750 | 74 | None | -5 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL846 | 212750 | 74 | None | -5 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| 2749 | 39417 | 101 | None | 1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 207 | 1 | 1 | 3 | 2.4 | Cc1cc(C2CCCCC2)n(O)c(=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1413 | 39417 | 101 | None | 1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 207 | 1 | 1 | 3 | 2.4 | Cc1cc(C2CCCCC2)n(O)c(=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 9846332 | 58833 | 37 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 444 | 2 | 3 | 5 | 2.4 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1587228 | 58833 | 37 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 444 | 2 | 3 | 5 | 2.4 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 10.1038/s41467-023-40064-9 | ||
| 3157 | 8252 | 71 | None | -38 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7170 | 8252 | 71 | None | -38 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 954 | 8252 | 71 | None | -38 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL707 | 8252 | 71 | None | -38 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00590 | 8252 | 71 | None | -38 | 22 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 27901 | 84982 | 22 | None | -33 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 286 | 4 | 0 | 3 | 3.8 | CN1CCC(N(Cc2cccs2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105458 | 84982 | 22 | None | -33 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 286 | 4 | 0 | 3 | 3.8 | CN1CCC(N(Cc2cccs2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2993 | 121470 | 24 | None | -177 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL121663 | 121470 | 24 | None | -177 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL333826 | 121470 | 24 | None | -177 | 13 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 1343 | 8670 | 62 | None | -9 | 12 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 3519 | 8670 | 62 | None | -9 | 12 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 522 | 8670 | 62 | None | -9 | 12 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL862 | 8670 | 62 | None | -9 | 12 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| DB01018 | 8670 | 62 | None | -9 | 12 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 2169 | 51621 | 35 | None | -4 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152231 | 51621 | 35 | None | -4 | 12 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 9853053 | 127297 | 74 | None | -1 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL354541 | 127297 | 74 | None | -1 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 93154 | 12208 | 29 | None | -316 | 8 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 304 | 1 | 0 | 2 | 4.0 | c1ccc2c(c1)CCc1ccccc1N2C1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL107360 | 12208 | 29 | None | -316 | 8 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 304 | 1 | 0 | 2 | 4.0 | c1ccc2c(c1)CCc1ccccc1N2C1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 3735 | 213010 | 76 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 571 | 4 | 2 | 2 | 3.7 | CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL867 | 213010 | 76 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 571 | 4 | 2 | 2 | 3.7 | CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 65863 | 21237 | 57 | None | -14 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201196 | 21237 | 57 | None | -14 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 7547 | 12276 | 94 | None | -3 | 4 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 2 | 2 | 1 | 5.3 | O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1076347 | 12276 | 94 | None | -3 | 4 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 314 | 2 | 2 | 1 | 5.3 | O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 65646 | 128079 | 26 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 461 | 6 | 2 | 9 | 0.8 | Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3580454 | 128079 | 26 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 461 | 6 | 2 | 9 | 0.8 | Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C | 10.1038/s41467-023-40064-9 | ||
| 71743 | 85042 | 62 | None | -1 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.6 | O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2107014 | 85042 | 62 | None | -1 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.6 | O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5440 | 35497 | 37 | None | -1995 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1378 | 35497 | 37 | None | -1995 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| DB00372 | 35497 | 37 | None | -1995 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 2705 | 10614 | 64 | None | -1288 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 360 | 10614 | 64 | None | -1288 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 443879 | 10614 | 64 | None | -1288 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1382 | 10614 | 64 | None | -1288 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB01036 | 10614 | 64 | None | -1288 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 104870 | 105656 | 47 | None | -8 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
| 5374 | 105656 | 47 | None | -8 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279085 | 105656 | 47 | None | -8 | 10 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | 10.1038/s41467-023-40064-9 | ||
| 21722 | 24764 | 31 | None | -16 | 21 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL126224 | 24764 | 31 | None | -16 | 21 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| 5282219 | 42643 | 63 | None | -4 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1441961 | 42643 | 63 | None | -4 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 16678941 | 84928 | 109 | None | -1 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 452 | 5 | 2 | 5 | 4.7 | Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103870 | 84928 | 109 | None | -1 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 452 | 5 | 2 | 5 | 4.7 | Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1 | 10.1038/s41467-023-40064-9 | ||
| 71927 | 85178 | 18 | None | -2 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 202 | 2 | 1 | 3 | 0.9 | COc1cc(N)cn[n+]1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2106667 | 85178 | 18 | None | -2 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 202 | 2 | 1 | 3 | 0.9 | COc1cc(N)cn[n+]1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2110922 | 85178 | 18 | None | -2 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 202 | 2 | 1 | 3 | 0.9 | COc1cc(N)cn[n+]1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 1549120 | 203265 | 85 | None | -16 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL56337 | 203265 | 85 | None | -16 | 19 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 24821094 | 73868 | 93 | None | -6 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1873475 | 73868 | 93 | None | -6 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 446156 | 46599 | 29 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 459 | 11 | 3 | 5 | 4.9 | COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1477 | 46599 | 29 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 459 | 11 | 3 | 5 | 4.9 | COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1027 | 8357 | 73 | None | -676 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3241 | 8357 | 73 | None | -676 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 7176 | 8357 | 73 | None | -676 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1106 | 8357 | 73 | None | -676 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00751 | 8357 | 73 | None | -676 | 7 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 249 | 0 | 2 | 1 | 2.7 | N=C1NCC2N1c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 37464 | 25993 | 26 | None | -707 | 8 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1290 | 25993 | 26 | None | -707 | 8 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB01359 | 25993 | 26 | None | -707 | 8 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| 37907 | 42172 | 88 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 292 | 4 | 0 | 4 | 3.7 | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1437764 | 42172 | 88 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 292 | 4 | 0 | 4 | 3.7 | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| 3336 | 101776 | 30 | None | -5248 | 14 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1405922 | 101776 | 30 | None | -5248 | 14 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL254832 | 101776 | 30 | None | -5248 | 14 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 6989 | 107729 | 115 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 150 | 1 | 1 | 1 | 2.8 | Cc1ccc(C(C)C)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL29411 | 107729 | 115 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 150 | 1 | 1 | 1 | 2.8 | Cc1ccc(C(C)C)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 60663 | 182448 | 42 | None | -8 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1421212 | 182448 | 42 | None | -8 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1534525 | 182448 | 42 | None | -8 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL45816 | 182448 | 42 | None | -8 | 12 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| 3606 | 210267 | 60 | None | -3 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6615 | 210267 | 60 | None | -3 | 8 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 65948 | 25328 | 109 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1275868 | 25328 | 109 | None | -12 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | ||
| 54679224 | 66677 | 113 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 145 | 0 | 2 | 3 | 1.1 | Oc1cc(O)c(Cl)cn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1730601 | 66677 | 113 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 145 | 0 | 2 | 3 | 1.1 | Oc1cc(O)c(Cl)cn1 | 10.1038/s41467-023-40064-9 | ||
| 180 | 7189 | 56 | None | -63 | 38 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 200 | 7189 | 56 | None | -63 | 38 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2160 | 7189 | 56 | None | -63 | 38 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL629 | 7189 | 56 | None | -63 | 38 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00321 | 7189 | 56 | None | -63 | 38 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2389 | 10104 | 118 | None | -13 | 29 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 5073 | 10104 | 118 | None | -13 | 29 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 96 | 10104 | 118 | None | -13 | 29 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL85 | 10104 | 118 | None | -13 | 29 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB00734 | 10104 | 118 | None | -13 | 29 | Human | 7.6 | pAC50 | = | 7.6 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 2337 | 10030 | 77 | None | -4 | 29 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 50 | 10030 | 77 | None | -4 | 29 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5002 | 10030 | 77 | None | -4 | 29 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL716 | 10030 | 77 | None | -4 | 29 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01224 | 10030 | 77 | None | -4 | 29 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 135 | 9310 | 43 | None | -72 | 33 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 1796 | 9310 | 43 | None | -72 | 33 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4184 | 9310 | 43 | None | -72 | 33 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6437 | 9310 | 43 | None | -72 | 33 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB06148 | 9310 | 43 | None | -72 | 33 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2333 | 149113 | 97 | None | -2 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL388590 | 149113 | 97 | None | -2 | 14 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | ||
| 135 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 1796 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4184 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6437 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB06148 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 135400189 | 51349 | 73 | None | -26 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 488 | 8 | 1 | 8 | 2.1 | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1520 | 51349 | 73 | None | -26 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 488 | 8 | 1 | 8 | 2.1 | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | 10.1038/s41467-023-40064-9 | ||
| 1155 | 8410 | 53 | None | -257 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3343 | 8410 | 53 | None | -257 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 557 | 8410 | 53 | None | -257 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL32800 | 8410 | 53 | None | -257 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB01288 | 8410 | 53 | None | -257 | 11 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 65981 | 25226 | 102 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 452 | 10 | 2 | 4 | 5.2 | CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1272 | 25226 | 102 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 452 | 10 | 2 | 4 | 5.2 | CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 6010 | 37471 | 44 | None | -1 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 302 | 0 | 1 | 2 | 4.3 | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1395 | 37471 | 44 | None | -1 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 302 | 0 | 1 | 2 | 4.3 | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | ||
| 5328940 | 106992 | 107 | None | -3 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL288441 | 106992 | 107 | None | -3 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 2448 | 106099 | 70 | None | -12 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL28218 | 106099 | 70 | None | -12 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB12401 | 106099 | 70 | None | -12 | 15 | Human | 6.6 | pAC50 | = | 6.6 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3151 | 8244 | 97 | None | -151 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 945 | 8244 | 97 | None | -151 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 965 | 8244 | 97 | None | -151 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL219916 | 8244 | 97 | None | -151 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01184 | 8244 | 97 | None | -151 | 23 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 6256 | 16443 | 86 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 296 | 2 | 3 | 6 | -0.8 | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1129 | 16443 | 86 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 296 | 2 | 3 | 6 | -0.8 | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 4006 | 65883 | 94 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 288 | 4 | 0 | 6 | 3.1 | CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1697754 | 65883 | 94 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 288 | 4 | 0 | 6 | 3.1 | CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1 | 10.1038/s41467-023-40064-9 | ||
| 14052 | 179357 | 51 | None | -5495 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 204 | 9 | 4 | 4 | -0.3 | CC[C@@H](CO)NCCN[C@@H](CC)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL44884 | 179357 | 51 | None | -5495 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 204 | 9 | 4 | 4 | -0.3 | CC[C@@H](CO)NCCN[C@@H](CC)CO | 10.1038/s41467-023-40064-9 | ||
| 1046 | 209431 | 116 | None | -1412 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL614 | 209431 | 116 | None | -1412 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | ||
| 43082 | 67057 | 37 | None | -72 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 6 | 0 | 2 | 5.5 | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1742452 | 67057 | 37 | None | -72 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 6 | 0 | 2 | 5.5 | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 219024 | 10073 | 65 | None | -6456 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | ||
| 2362 | 10073 | 65 | None | -6456 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | ||
| 5596 | 10073 | 65 | None | -6456 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL317052 | 10073 | 65 | None | -6456 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | ||
| DB06213 | 10073 | 65 | None | -6456 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | ||
| 2520 | 210787 | 70 | None | -50 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1280 | 210787 | 70 | None | -50 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6966 | 210787 | 70 | None | -50 | 20 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 11154555 | 7587 | 62 | None | -1096 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 5037 | 7587 | 62 | None | -1096 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 7671 | 7587 | 62 | None | -1096 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2028019 | 7587 | 62 | None | -1096 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3085826 | 7587 | 62 | None | -1096 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB06016 | 7587 | 62 | None | -1096 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 2406 | 107180 | 89 | None | -16 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL290106 | 107180 | 89 | None | -16 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | ||
| 3627 | 50903 | 18 | None | -39 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1515447 | 50903 | 18 | None | -39 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2247 | 7293 | 81 | None | -26 | 42 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 7293 | 81 | None | -26 | 42 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 7293 | 81 | None | -26 | 42 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 7293 | 81 | None | -26 | 42 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 7293 | 81 | None | -26 | 42 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2749 | 7132 | 40 | None | -1 | 10 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 5574 | 7132 | 40 | None | -1 | 10 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7237 | 7132 | 40 | None | -1 | 10 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL829 | 7132 | 40 | None | -1 | 10 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01246 | 7132 | 40 | None | -1 | 10 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 2142 | 9870 | 58 | None | -1 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4920903 | 9870 | 58 | None | -1 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 502 | 9870 | 58 | None | -1 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5775 | 9870 | 58 | None | -1 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL597 | 9870 | 58 | None | -1 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00692 | 9870 | 58 | None | -1 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 6337614 | 19768 | 54 | None | -26 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 296 | 1 | 0 | 2 | 2.7 | O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1189679 | 19768 | 54 | None | -26 | 6 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 296 | 1 | 0 | 2 | 2.7 | O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 242 | 7258 | 124 | None | -120 | 32 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 7258 | 124 | None | -120 | 32 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 7258 | 124 | None | -120 | 32 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 7258 | 124 | None | -120 | 32 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 7258 | 124 | None | -120 | 32 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 9051 | 21214 | 67 | None | -5 | 3 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 4.5 | CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200853 | 21214 | 67 | None | -5 | 3 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 4.5 | CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| 4121 | 57609 | 62 | None | -1 | 2 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 359 | 2 | 2 | 5 | 0.6 | CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1577 | 57609 | 62 | None | -1 | 2 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 359 | 2 | 2 | 5 | 0.6 | CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O | 10.1038/s41467-023-40064-9 | ||
| 24765256 | 180076 | 23 | None | -2 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 757 | 6 | 3 | 9 | 3.9 | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4525964 | 180076 | 23 | None | -2 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 757 | 6 | 3 | 9 | 3.9 | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | 10.1038/s41467-023-40064-9 | ||
| 15387 | 52596 | 55 | None | 1 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1531134 | 52596 | 55 | None | 1 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5748845 | 85006 | 12 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 522 | 9 | 4 | 13 | -3.2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CS[C@H]12)c1csc(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105940 | 85006 | 12 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 522 | 9 | 4 | 13 | -3.2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CS[C@H]12)c1csc(N)n1 | 10.1038/s41467-023-40064-9 | ||
| 68818 | 85043 | 28 | None | 3 | 3 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 217 | 1 | 2 | 3 | 2.2 | c1ccc2c(SC3=NCCN3)c[nH]c2c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2107015 | 85043 | 28 | None | 3 | 3 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 217 | 1 | 2 | 3 | 2.2 | c1ccc2c(SC3=NCCN3)c[nH]c2c1 | 10.1038/s41467-023-40064-9 | ||
| 3294 | 8787 | 111 | None | -3 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 71360 | 8787 | 111 | None | -3 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 87 | 8787 | 111 | None | -3 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL14376 | 8787 | 111 | None | -3 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| DB04946 | 8787 | 111 | None | -3 | 23 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 115368 | 9830 | 47 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 2112 | 9830 | 47 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 7556 | 9830 | 47 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1472975 | 9830 | 47 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB08922 | 9830 | 47 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 4151 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 493 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 5312125 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24778 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| DB06207 | 10379 | 89 | None | 1 | 10 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 6077 | 157477 | 31 | None | 3 | 11 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL39560 | 157477 | 31 | None | 3 | 11 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 2107 | 9829 | 50 | None | 2 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4747 | 9829 | 50 | None | 2 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 9216 | 9829 | 50 | None | 2 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL251940 | 9829 | 50 | None | 2 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01608 | 9829 | 50 | None | 2 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 62867 | 9903 | 35 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 7557 | 9903 | 35 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL398880 | 9903 | 35 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01621 | 9903 | 35 | None | -1 | 9 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 2407 | 10145 | 76 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| 59227 | 10145 | 76 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| 941 | 10145 | 76 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1303 | 10145 | 76 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| DB05271 | 10145 | 76 | None | 1 | 17 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | ||
| 5568 | 204279 | 29 | None | -1 | 13 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| 66069 | 204279 | 29 | None | -1 | 13 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201102 | 204279 | 29 | None | -1 | 13 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL570 | 204279 | 29 | None | -1 | 13 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| DB00508 | 204279 | 29 | None | -1 | 13 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| 11976 | 7707 | 59 | None | -1 | 16 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 667467 | 7707 | 59 | None | -1 | 16 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL908 | 7707 | 59 | None | -1 | 16 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01239 | 7707 | 59 | None | -1 | 16 | Human | 8.5 | pAC50 | = | 8.5 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 2585 | 7590 | 103 | None | -50 | 34 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 522 | 7590 | 103 | None | -50 | 34 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 551 | 7590 | 103 | None | -50 | 34 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL723 | 7590 | 103 | None | -50 | 34 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| DB01136 | 7590 | 103 | None | -50 | 34 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 1524 | 8962 | 96 | None | -23 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 197 | 8962 | 96 | None | -23 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3822 | 8962 | 96 | None | -23 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 88 | 8962 | 96 | None | -23 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL51 | 8962 | 96 | None | -23 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12465 | 8962 | 96 | None | -23 | 18 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2583 | 10548 | 118 | None | -3019 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 592 | 10548 | 118 | None | -3019 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 65999 | 10548 | 118 | None | -3019 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1017 | 10548 | 118 | None | -3019 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00966 | 10548 | 118 | None | -3019 | 16 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3601 | 21275 | 9 | None | -45 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 502 | 9 | 0 | 0 | 8.2 | C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201349 | 21275 | 9 | None | -45 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 502 | 9 | 0 | 0 | 8.2 | C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 212 | 10578 | 47 | None | -28 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 2639 | 10578 | 47 | None | -28 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 941651 | 10578 | 47 | None | -28 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201 | 10578 | 47 | None | -28 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01623 | 10578 | 47 | None | -28 | 22 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 1043 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 149 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 3251 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 8223 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1982133 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL442 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| DB00696 | 8363 | 14 | None | -15488 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 118422671 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 1887 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 189562 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 71301 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 7246 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 9844194 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2365658 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3526436 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434394 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| DB04861 | 9533 | 65 | None | -1023 | 23 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 4452 | 9538 | 19 | None | -10232 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 983 | 9538 | 19 | None | -10232 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL20734 | 9538 | 19 | None | -10232 | 21 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 1720 | 9731 | 38 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4086 | 9731 | 38 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 7250 | 9731 | 38 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL776 | 9731 | 38 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00816 | 9731 | 38 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 2389 | 10104 | 118 | None | -13 | 29 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 5073 | 10104 | 118 | None | -13 | 29 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 96 | 10104 | 118 | None | -13 | 29 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL85 | 10104 | 118 | None | -13 | 29 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB00734 | 10104 | 118 | None | -13 | 29 | Human | 7.5 | pAC50 | = | 7.5 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 228 | 7233 | 28 | None | -75 | 19 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| 33 | 7233 | 28 | None | -75 | 19 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| 6005 | 7233 | 28 | None | -75 | 19 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL53 | 7233 | 28 | None | -75 | 19 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00714 | 7233 | 28 | None | -75 | 19 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | ||
| 2169 | 51621 | 35 | None | -4 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152231 | 51621 | 35 | None | -4 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 3584 | 10549 | 64 | None | -69 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 5401 | 10549 | 64 | None | -69 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 7302 | 10549 | 64 | None | -69 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL611 | 10549 | 64 | None | -69 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| DB01162 | 10549 | 64 | None | -69 | 11 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 5482 | 21192 | 80 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200438 | 21192 | 80 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 2993 | 121470 | 24 | None | -177 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL121663 | 121470 | 24 | None | -177 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL333826 | 121470 | 24 | None | -177 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 681 | 8247 | 72 | None | -162 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 940 | 8247 | 72 | None | -162 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 947 | 8247 | 72 | None | -162 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL59 | 8247 | 72 | None | -162 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00988 | 8247 | 72 | None | -162 | 14 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 2105 | 9828 | 37 | None | -114 | 24 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 47811 | 9828 | 37 | None | -114 | 24 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 48 | 9828 | 37 | None | -114 | 24 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL531 | 9828 | 37 | None | -114 | 24 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| DB01186 | 9828 | 37 | None | -114 | 24 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 2220 | 9908 | 82 | None | -269 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 27400 | 9908 | 82 | None | -269 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 93 | 9908 | 82 | None | -269 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL294951 | 9908 | 82 | None | -269 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB06153 | 9908 | 82 | None | -269 | 17 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 1086 | 8371 | 27 | None | -91 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | ||
| 3290 | 8371 | 27 | None | -91 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | ||
| 7181 | 8371 | 27 | None | -91 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1206 | 8371 | 27 | None | -91 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | ||
| DB00392 | 8371 | 27 | None | -91 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 10.1038/s41467-023-40064-9 | ||
| 2200 | 26975 | 61 | None | 1 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256819 | 26975 | 61 | None | 1 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1305 | 26975 | 61 | None | 1 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB08799 | 26975 | 61 | None | 1 | 12 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2136 | 9869 | 30 | None | 1 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 4768 | 9869 | 30 | None | 1 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7268 | 9869 | 30 | None | 1 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL753 | 9869 | 30 | None | 1 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00925 | 9869 | 30 | None | 1 | 21 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 68712 | 107114 | 60 | None | -4 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL289480 | 107114 | 60 | None | -4 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
| 65700 | 85035 | 28 | None | -10 | 8 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2106919 | 85035 | 28 | None | -10 | 8 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 3.3 | CNC1Cc2ccccc2N(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 4066 | 211405 | 78 | None | -21 | 16 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL73451 | 211405 | 78 | None | -21 | 16 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| DB01071 | 211405 | 78 | None | -21 | 16 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 3108 | 214066 | 116 | None | -1 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL932 | 214066 | 116 | None | -1 | 7 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | ||
| 47936 | 200201 | 88 | None | -74 | 6 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 410 | 2 | 3 | 7 | 1.5 | C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL52606 | 200201 | 88 | None | -74 | 6 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 410 | 2 | 3 | 7 | 1.5 | C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C | 10.1038/s41467-023-40064-9 | ||
| 3158 | 63041 | 27 | None | -125 | 28 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 63041 | 27 | None | -125 | 28 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB01142 | 63041 | 27 | None | -125 | 28 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 1971 | 9641 | 38 | None | -89 | 32 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2404 | 9641 | 38 | None | -89 | 32 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4543 | 9641 | 38 | None | -89 | 32 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL445 | 9641 | 38 | None | -89 | 32 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00540 | 9641 | 38 | None | -89 | 32 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3584 | 10549 | 64 | None | -69 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 5401 | 10549 | 64 | None | -69 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 7302 | 10549 | 64 | None | -69 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL611 | 10549 | 64 | None | -69 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| DB01162 | 10549 | 64 | None | -69 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 124087 | 8171 | 114 | None | -112 | 27 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 7157 | 8171 | 114 | None | -112 | 27 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 814 | 8171 | 114 | None | -112 | 27 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1172 | 8171 | 114 | None | -112 | 27 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00967 | 8171 | 114 | None | -112 | 27 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 441074 | 26186 | 82 | None | -1 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1294 | 26186 | 82 | None | -1 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
| 115 | 7131 | 71 | None | 14 | 5 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 2092 | 7131 | 71 | None | 14 | 5 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 7109 | 7131 | 71 | None | 14 | 5 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL709 | 7131 | 71 | None | 14 | 5 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| DB00346 | 7131 | 71 | None | 14 | 5 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 4260 | 59332 | 31 | None | -3 | 9 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL159226 | 59332 | 31 | None | -3 | 9 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
| DB09205 | 59332 | 31 | None | -3 | 9 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | 10.1038/s41467-023-40064-9 | ||
| 1353 | 8692 | 93 | None | -22 | 39 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 8692 | 93 | None | -22 | 39 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 8692 | 93 | None | -22 | 39 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 8692 | 93 | None | -22 | 39 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 8692 | 93 | None | -22 | 39 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 5022 | 8432 | 76 | None | -8 | 9 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 6918248 | 8432 | 76 | None | -8 | 9 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 8182 | 8432 | 76 | None | -8 | 9 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL231068 | 8432 | 76 | None | -8 | 9 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB04908 | 8432 | 76 | None | -8 | 9 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 6075 | 156887 | 42 | None | -14 | 20 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL395110 | 156887 | 42 | None | -14 | 20 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 5591 | 164310 | 90 | None | -4 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL408 | 164310 | 90 | None | -4 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| 2181 | 9902 | 46 | None | -1 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 4830 | 9902 | 46 | None | -1 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 92 | 9902 | 46 | None | -1 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL440294 | 9902 | 46 | None | -1 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| DB09286 | 9902 | 46 | None | -1 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | 10.1038/s41467-023-40064-9 | ||
| 2146 | 9874 | 67 | None | -20 | 15 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 485 | 9874 | 67 | None | -20 | 15 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 6041 | 9874 | 67 | None | -20 | 15 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1215 | 9874 | 67 | None | -20 | 15 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00388 | 9874 | 67 | None | -20 | 15 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 17676 | 13844 | 29 | None | -1 | 13 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 5281082 | 13844 | 29 | None | -1 | 13 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1085 | 13844 | 29 | None | -1 | 13 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| DB01063 | 13844 | 29 | None | -1 | 13 | Human | 8.4 | pAC50 | = | 8.4 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 1427 | 8794 | 54 | None | -112 | 30 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 8794 | 54 | None | -112 | 30 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 8794 | 54 | None | -112 | 30 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 8794 | 54 | None | -112 | 30 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 8794 | 54 | None | -112 | 30 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1385580 | 36049 | 76 | None | -478 | 19 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4615 | 36049 | 76 | None | -478 | 19 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL13828 | 36049 | 76 | None | -478 | 19 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB12877 | 36049 | 76 | None | -478 | 19 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3952 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5353646 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5443 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5702063 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1331786 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL420 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| DB00629 | 8669 | 38 | None | -4 | 21 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 4209 | 9937 | 75 | None | -24 | 17 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 4893 | 9937 | 75 | None | -24 | 17 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 503 | 9937 | 75 | None | -24 | 17 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5385 | 9937 | 75 | None | -24 | 17 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2 | 9937 | 75 | None | -24 | 17 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| DB00457 | 9937 | 75 | None | -24 | 17 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 201505 | 86 | None | -3 | 37 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 201505 | 86 | None | -3 | 37 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 5803 | 169006 | 84 | None | 1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41632 | 169006 | 84 | None | 1 | 8 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | ||
| 71897 | 85023 | 19 | None | -141 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.7 | Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2106537 | 85023 | 19 | None | -141 | 7 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.7 | Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1 | 10.1038/s41467-023-40064-9 | ||
| 44591583 | 191315 | 96 | None | 3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 251 | 2 | 1 | 4 | 1.6 | N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL484785 | 191315 | 96 | None | 3 | 2 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 251 | 2 | 1 | 4 | 1.6 | N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5453 | 210398 | 102 | None | 1 | 14 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL671 | 210398 | 102 | None | 1 | 14 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 189 | 3 | 0 | 1 | 0.2 | S=P(N1CC1)(N1CC1)N1CC1 | 10.1038/s41467-023-40064-9 | ||
| 1613 | 9127 | 53 | None | -16 | 34 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 9127 | 53 | None | -16 | 34 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 9127 | 53 | None | -16 | 34 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 9127 | 53 | None | -16 | 34 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 9127 | 53 | None | -16 | 34 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3947 | 213174 | 53 | None | -6 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL87708 | 213174 | 53 | None | -6 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3152 | 195190 | 103 | None | -9 | 10 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL502 | 195190 | 103 | None | -9 | 10 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| 55645 | 91145 | 8 | None | -1258 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2218861 | 91145 | 8 | None | -1258 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| nan | 91145 | 8 | None | -1258 | 11 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| 3689 | 109548 | 55 | None | -64 | 16 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1372983 | 109548 | 55 | None | -64 | 16 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305187 | 109548 | 55 | None | -64 | 16 | Human | 6.4 | pAC50 | = | 6.4 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 60065 | 91144 | 6 | None | -2 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2218858 | 91144 | 6 | None | -2 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| 4418 | 40996 | 85 | None | -4 | 18 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142635 | 40996 | 85 | None | -4 | 18 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB12092 | 40996 | 85 | None | -4 | 18 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 100 | 10577 | 58 | None | -8 | 38 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2637 | 10577 | 58 | None | -8 | 38 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 5452 | 10577 | 58 | None | -8 | 38 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL479 | 10577 | 58 | None | -8 | 38 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00679 | 10577 | 58 | None | -8 | 38 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2335 | 18620 | 22 | None | -38 | 34 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8478 | 18620 | 22 | None | -38 | 34 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 18620 | 22 | None | -38 | 34 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL221753 | 18620 | 22 | None | -38 | 34 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2895 | 210371 | 41 | None | -16 | 15 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL669 | 210371 | 41 | None | -16 | 15 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB00924 | 210371 | 41 | None | -16 | 15 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 54682461 | 91461 | 62 | None | 1 | 12 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL222559 | 91461 | 62 | None | 1 | 12 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | ||
| 82153 | 50675 | 45 | None | 11 | 3 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 434 | 2 | 2 | 6 | 2.3 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1512 | 50675 | 45 | None | 11 | 3 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 434 | 2 | 2 | 6 | 2.3 | CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | 10.1038/s41467-023-40064-9 | ||
| 4011 | 89183 | 49 | None | -8 | 26 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL21731 | 89183 | 49 | None | -8 | 26 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 2710 | 91083 | 31 | None | -10 | 9 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22150 | 91083 | 31 | None | -10 | 9 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB08936 | 91083 | 31 | None | -10 | 9 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 54758501 | 145845 | 58 | None | -1621 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3786343 | 145845 | 58 | None | -1621 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | ||
| 6719 | 39442 | 39 | None | -6 | 4 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1413199 | 39442 | 39 | None | -6 | 4 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 4195 | 21243 | 44 | None | 2 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201212 | 21243 | 44 | None | 2 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00211 | 21243 | 44 | None | 2 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | ||
| 36811 | 8236 | 37 | None | -1 | 17 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 535 | 8236 | 37 | None | -1 | 17 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 937 | 8236 | 37 | None | -1 | 17 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL926 | 8236 | 37 | None | -1 | 17 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00841 | 8236 | 37 | None | -1 | 17 | Human | 8.3 | pAC50 | = | 8.3 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3083544 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200811 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1363 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1951071 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL605993 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB00983 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB01274 | 33582 | 51 | None | -407 | 6 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 643976 | 21290 | 30 | None | -2 | 3 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 456 | 7 | 6 | 10 | -1.6 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201794 | 21290 | 30 | None | -2 | 3 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 456 | 7 | 6 | 10 | -1.6 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C | 10.1038/s41467-023-40064-9 | ||
| 133 | 9274 | 52 | None | -131 | 28 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| 1723 | 9274 | 52 | None | -131 | 28 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| 28693 | 9274 | 52 | None | -131 | 28 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL19215 | 9274 | 52 | None | -131 | 28 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| DB13520 | 9274 | 52 | None | -131 | 28 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| 3033538 | 8101 | 39 | None | -63 | 13 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 7155 | 8101 | 39 | None | -63 | 13 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 781 | 8101 | 39 | None | -63 | 13 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201216 | 8101 | 39 | None | -63 | 13 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB00298 | 8101 | 39 | None | -63 | 13 | Human | 6.3 | pAC50 | = | 6.3 | Functional | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 2771 | 201796 | 74 | None | -46 | 16 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200781 | 201796 | 74 | None | -46 | 16 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL549 | 201796 | 74 | None | -46 | 16 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 191 | 7191 | 98 | None | -67 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 7191 | 98 | None | -67 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 7191 | 98 | None | -67 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 7191 | 98 | None | -67 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 7191 | 98 | None | -67 | 36 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 107641 | 67917 | 78 | None | -2 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 295 | 4 | 1 | 2 | 3.4 | CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1765292 | 67917 | 78 | None | -2 | 2 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 295 | 4 | 1 | 2 | 3.4 | CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2540 | 11173 | 111 | None | -1047 | 28 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1014 | 11173 | 111 | None | -1047 | 28 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 11504295 | 9697 | 47 | None | -416 | 8 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| 4814 | 9697 | 47 | None | -416 | 8 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| 7543 | 9697 | 47 | None | -416 | 8 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL605846 | 9697 | 47 | None | -416 | 8 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB09080 | 9697 | 47 | None | -416 | 8 | Human | 7.3 | pAC50 | = | 7.3 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1038/s41467-023-40064-9 | ||
| 1547484 | 7727 | 74 | None | -50 | 26 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 654 | 7727 | 74 | None | -50 | 26 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 9072 | 7727 | 74 | None | -50 | 26 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43064 | 7727 | 74 | None | -50 | 26 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00568 | 7727 | 74 | None | -50 | 26 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5639 | 105671 | 75 | None | 7 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279229 | 105671 | 75 | None | 7 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2995 | 211184 | 53 | None | -213 | 18 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1696 | 211184 | 53 | None | -213 | 18 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL72 | 211184 | 53 | None | -213 | 18 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB01151 | 211184 | 53 | None | -213 | 18 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 114948 | 67071 | 14 | None | -457 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1743263 | 67071 | 14 | None | -457 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| DB11274 | 67071 | 14 | None | -457 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 577 | 5 | 3 | 6 | 2.5 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| 146570 | 50228 | 67 | None | -1 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1508 | 50228 | 67 | None | -1 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 4167 | 21272 | 43 | None | -109 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201342 | 21272 | 43 | None | -109 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| DB00340 | 21272 | 43 | None | -109 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 2855 | 10904 | 104 | None | -2951 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 3322 | 10904 | 104 | None | -2951 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 5717 | 10904 | 104 | None | -2951 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL603 | 10904 | 104 | None | -2951 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| DB00549 | 10904 | 104 | None | -2951 | 12 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 2335 | 18620 | 22 | None | -38 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8478 | 18620 | 22 | None | -38 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 18620 | 22 | None | -38 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL221753 | 18620 | 22 | None | -38 | 34 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5832 | 21232 | 54 | None | -7 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 340 | 1 | 0 | 3 | 4.1 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201146 | 21232 | 54 | None | -7 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 340 | 1 | 0 | 3 | 4.1 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 208898 | 72973 | 78 | None | -9 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL184412 | 72973 | 78 | None | -9 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB04855 | 72973 | 78 | None | -9 | 11 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 37 | 7565 | 60 | None | -141 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 460 | 7565 | 60 | None | -141 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 54746 | 7565 | 60 | None | -141 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201087 | 7565 | 60 | None | -141 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00248 | 7565 | 60 | None | -141 | 12 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 5419 | 24832 | 57 | None | 10 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCCC2C1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200413 | 24832 | 57 | None | 10 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCCC2C1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1266 | 24832 | 57 | None | 10 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCCC2C1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB06764 | 24832 | 57 | None | 10 | 5 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCCC2C1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 1028 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 139148732 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 479 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5816 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL679 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00668 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 1028 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 139148732 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 479 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5816 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL679 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00668 | 7079 | 71 | None | 1 | 19 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 1524 | 8962 | 96 | None | -23 | 18 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 197 | 8962 | 96 | None | -23 | 18 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3822 | 8962 | 96 | None | -23 | 18 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 88 | 8962 | 96 | None | -23 | 18 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL51 | 8962 | 96 | None | -23 | 18 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12465 | 8962 | 96 | None | -23 | 18 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2713 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1330113 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 212050 | 82 | None | -1 | 27 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5324346 | 212361 | 59 | None | 2 | 3 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1409 | 212361 | 59 | None | 2 | 3 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL814 | 212361 | 59 | None | 2 | 3 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1353 | 8692 | 93 | None | -22 | 39 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 8692 | 93 | None | -22 | 39 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 8692 | 93 | None | -22 | 39 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 8692 | 93 | None | -22 | 39 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 8692 | 93 | None | -22 | 39 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 102 | 10899 | 48 | None | -380 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3659 | 10899 | 48 | None | -380 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 8969 | 10899 | 48 | None | -380 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL15245 | 10899 | 48 | None | -380 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01392 | 10899 | 48 | None | -380 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 392622 | 63086 | 95 | None | -8 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL163 | 63086 | 95 | None | -8 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| 3354 | 48558 | 50 | None | -7 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1493 | 48558 | 50 | None | -7 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | ||
| DB01148 | 48558 | 50 | None | -7 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | ||
| 447715 | 203706 | 68 | None | -10 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 420 | 5 | 3 | 3 | 5.1 | CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL566315 | 203706 | 68 | None | -10 | 7 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 420 | 5 | 3 | 3 | 5.1 | CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| 25382 | 15929 | 37 | None | -16 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL110094 | 15929 | 37 | None | -16 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 2435 | 10362 | 83 | None | -25 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 60149 | 10362 | 83 | None | -25 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 98 | 10362 | 83 | None | -25 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL12713 | 10362 | 83 | None | -25 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| DB06144 | 10362 | 83 | None | -25 | 21 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 2683 | 109665 | 25 | None | -812 | 24 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305906 | 109665 | 25 | None | -812 | 24 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL334255 | 109665 | 25 | None | -812 | 24 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2435 | 7509 | 100 | None | -199 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 395 | 7509 | 100 | None | -199 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 520 | 7509 | 100 | None | -199 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5386 | 7509 | 100 | None | -199 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL844 | 7509 | 100 | None | -199 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00484 | 7509 | 100 | None | -199 | 10 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 25295 | 20392 | 37 | None | -4 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 289 | 6 | 0 | 3 | 3.3 | CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1194287 | 20392 | 37 | None | -4 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 289 | 6 | 0 | 3 | 3.3 | CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| 10607 | 209026 | 100 | None | - | 1 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 414 | 4 | 1 | 8 | 2.4 | COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL61 | 209026 | 100 | None | - | 1 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 414 | 4 | 1 | 8 | 2.4 | COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 73417116 | 161210 | 0 | None | -11 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 266 | 2 | 2 | 2 | 3.0 | N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3989843 | 161210 | 0 | None | -11 | 5 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 266 | 2 | 2 | 2 | 3.0 | N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5314 | 210887 | 23 | None | 25 | 2 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 290 | 9 | 0 | 4 | 0.3 | C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL703 | 210887 | 23 | None | 25 | 2 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 290 | 9 | 0 | 4 | 0.3 | C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 20628 | 103323 | 28 | None | -17 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL26291 | 103323 | 28 | None | -17 | 13 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 | 10.1038/s41467-023-40064-9 | ||
| 2865 | 10915 | 73 | None | -23 | 20 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 59 | 10915 | 73 | None | -23 | 20 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60854 | 10915 | 73 | None | -23 | 20 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL708 | 10915 | 73 | None | -23 | 20 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00246 | 10915 | 73 | None | -23 | 20 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5353853 | 24758 | 47 | None | -39 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 9556529 | 24758 | 47 | None | -39 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1262 | 24758 | 47 | None | -39 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 2402 | 10143 | 62 | None | -354 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
| 5095 | 10143 | 62 | None | -354 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
| 7295 | 10143 | 62 | None | -354 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL589 | 10143 | 62 | None | -354 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
| DB00268 | 10143 | 62 | None | -354 | 16 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | 10.1038/s41467-023-40064-9 | ||
| 1593 | 9119 | 66 | None | -3 | 6 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 30668 | 9119 | 66 | None | -3 | 6 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 9868 | 9119 | 66 | None | -3 | 6 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17860 | 9119 | 66 | None | -3 | 6 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| DB04948 | 9119 | 66 | None | -3 | 6 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 4567 | 16720 | 34 | None | 2 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL114655 | 16720 | 34 | None | 2 | 12 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 16363 | 7383 | 53 | None | -13 | 21 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 312 | 7383 | 53 | None | -13 | 21 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 9215 | 7383 | 53 | None | -13 | 21 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL297302 | 7383 | 53 | None | -13 | 21 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12867 | 7383 | 53 | None | -13 | 21 | Human | 7.2 | pAC50 | = | 7.2 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 168871 | 95905 | 14 | None | -53 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2365712 | 95905 | 14 | None | -53 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 563 | 4 | 3 | 6 | 2.1 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 10.1038/s41467-023-40064-9 | ||
| 3598 | 194600 | 76 | None | 1 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL496 | 194600 | 76 | None | 1 | 17 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 2247 | 7293 | 81 | None | -26 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 7293 | 81 | None | -26 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 7293 | 81 | None | -26 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 7293 | 81 | None | -26 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 7293 | 81 | None | -26 | 42 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 40466858 | 22927 | 67 | None | -20 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 348 | 6 | 1 | 3 | 4.0 | Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5284514 | 22927 | 67 | None | -20 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 348 | 6 | 1 | 3 | 4.0 | Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1224 | 22927 | 67 | None | -20 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 348 | 6 | 1 | 3 | 4.0 | Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB09488 | 22927 | 67 | None | -20 | 4 | Human | 6.2 | pAC50 | = | 6.2 | Functional | ChEMBL | 348 | 6 | 1 | 3 | 4.0 | Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5077 | 10351 | 79 | None | -275 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
| 7552 | 10351 | 79 | None | -275 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
| 9913767 | 10351 | 79 | None | -275 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL238804 | 10351 | 79 | None | -275 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
| DB11362 | 10351 | 79 | None | -275 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | ||
| 1613 | 9127 | 53 | None | -16 | 34 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 9127 | 53 | None | -16 | 34 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 9127 | 53 | None | -16 | 34 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 9127 | 53 | None | -16 | 34 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 9127 | 53 | None | -16 | 34 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4195 | 21243 | 44 | None | 2 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201212 | 21243 | 44 | None | 2 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00211 | 21243 | 44 | None | 2 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | ||
| 12488 | 8438 | 56 | None | -19 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | ||
| 941361 | 8438 | 56 | None | -19 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL30008 | 8438 | 56 | None | -19 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | ||
| DB04841 | 8438 | 56 | None | -19 | 28 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | ||
| 1909 | 9598 | 64 | None | -1 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| 2559 | 9598 | 64 | None | -1 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| 4474 | 9598 | 64 | None | -1 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1484 | 9598 | 64 | None | -1 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3302409 | 9598 | 64 | None | -1 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| DB00622 | 9598 | 64 | None | -1 | 11 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| 82146 | 11302 | 113 | None | 1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1023 | 11302 | 113 | None | 1 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | ||
| 213046 | 9164 | 59 | None | -6 | 17 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 4168 | 9164 | 59 | None | -6 | 17 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 7461 | 9164 | 59 | None | -6 | 17 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1237021 | 9164 | 59 | None | -6 | 17 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| DB08815 | 9164 | 59 | None | -6 | 17 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 137 | 7158 | 52 | None | -3467 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2119 | 7158 | 52 | None | -3467 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 563 | 7158 | 52 | None | -3467 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 66368 | 7158 | 52 | None | -3467 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL266195 | 7158 | 52 | None | -3467 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB00866 | 7158 | 52 | None | -3467 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 68617 | 212306 | 62 | None | -14 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1709 | 212306 | 62 | None | -14 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL809 | 212306 | 62 | None | -14 | 30 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 11823027 | 199395 | 37 | None | -436 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| 4411 | 199395 | 37 | None | -436 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3246778 | 199395 | 37 | None | -436 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL521606 | 199395 | 37 | None | -436 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| DB01203 | 199395 | 37 | None | -436 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1038/s41467-023-40064-9 | ||
| 1690 | 9832 | 19 | None | -2 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 4058 | 9832 | 19 | None | -2 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5750 | 9832 | 19 | None | -2 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7221 | 9832 | 19 | None | -2 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL607 | 9832 | 19 | None | -2 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00454 | 9832 | 19 | None | -2 | 4 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2291 | 9958 | 58 | None | -147 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2561 | 9958 | 58 | None | -147 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 4932 | 9958 | 58 | None | -147 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL631 | 9958 | 58 | None | -147 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB01182 | 9958 | 58 | None | -147 | 13 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 1588 | 9105 | 27 | None | -467 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 28864 | 9105 | 27 | None | -467 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 43 | 9105 | 27 | None | -467 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL157138 | 9105 | 27 | None | -467 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| DB00589 | 9105 | 27 | None | -467 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1038/s41467-023-40064-9 | ||
| 82146 | 11302 | 113 | None | 1 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1023 | 11302 | 113 | None | 1 | 8 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | ||
| 2803 | 7742 | 58 | None | -3 | 14 | Human | 8.1 | pAC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 516 | 7742 | 58 | None | -3 | 14 | Human | 8.1 | pAC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 704 | 7742 | 58 | None | -3 | 14 | Human | 8.1 | pAC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL134 | 7742 | 58 | None | -3 | 14 | Human | 8.1 | pAC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00575 | 7742 | 58 | None | -3 | 14 | Human | 8.1 | pAC50 | = | 8.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 2470 | 10425 | 50 | None | -13803 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3300 | 10425 | 50 | None | -13803 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5265 | 10425 | 50 | None | -13803 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 99 | 10425 | 50 | None | -13803 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267930 | 10425 | 50 | None | -13803 | 23 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 154257 | 185398 | 67 | None | -13 | 19 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46740 | 185398 | 67 | None | -13 | 19 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
| 6324616 | 175603 | 25 | None | 1 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 697 | 2 | 6 | 12 | 4.8 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL437765 | 175603 | 25 | None | 1 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 697 | 2 | 6 | 12 | 4.8 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 3949 | 107390 | 50 | None | -8 | 16 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL29188 | 107390 | 50 | None | -8 | 16 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 444029 | 174536 | 10 | None | -1 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 9 | 2.0 | C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]2(C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4303178 | 174536 | 10 | None | -1 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 9 | 2.0 | C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]2(C)O1 | 10.1038/s41467-023-40064-9 | ||
| 4631 | 201751 | 29 | None | -1071 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL546 | 201751 | 29 | None | -1071 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01580 | 201751 | 29 | None | -1071 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 71398 | 113216 | 44 | None | -1174 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL313972 | 113216 | 44 | None | -1174 | 14 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 31101 | 7516 | 40 | None | -199 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 35 | 7516 | 40 | None | -199 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 403 | 7516 | 40 | None | -199 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493 | 7516 | 40 | None | -199 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01200 | 7516 | 40 | None | -199 | 29 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 11057 | 182928 | 23 | None | -1 | 25 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3468 | 182928 | 23 | None | -1 | 25 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL459265 | 182928 | 23 | None | -1 | 25 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL64894 | 182928 | 23 | None | -1 | 25 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 636403 | 195047 | 22 | None | -3 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 570 | 5 | 2 | 5 | 6.8 | CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL499915 | 195047 | 22 | None | -3 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 570 | 5 | 2 | 5 | 6.8 | CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| 124087 | 8171 | 114 | None | -112 | 27 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 7157 | 8171 | 114 | None | -112 | 27 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 814 | 8171 | 114 | None | -112 | 27 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1172 | 8171 | 114 | None | -112 | 27 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00967 | 8171 | 114 | None | -112 | 27 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 41684 | 37995 | 105 | None | -19 | 32 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1401 | 37995 | 105 | None | -19 | 32 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| 5284550 | 48495 | 15 | None | -87 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1492500 | 48495 | 15 | None | -87 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 21855 | 91021 | 42 | None | -112 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22108 | 91021 | 42 | None | -112 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| DB08801 | 91021 | 42 | None | -112 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| 134 | 9292 | 24 | None | -457 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| 1775 | 9292 | 24 | None | -457 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| 9681 | 9292 | 24 | None | -457 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1065 | 9292 | 24 | None | -457 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| DB00247 | 9292 | 24 | None | -457 | 18 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | ||
| 2391 | 214232 | 92 | None | -9 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 361 | 5 | 0 | 5 | 4.1 | CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL942 | 214232 | 92 | None | -9 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 361 | 5 | 0 | 5 | 4.1 | CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 151537 | 169443 | 49 | None | -1 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 41867 | 169443 | 49 | None | -1 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL417 | 169443 | 49 | None | -1 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 3294 | 8787 | 111 | None | -3 | 23 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 71360 | 8787 | 111 | None | -3 | 23 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 87 | 8787 | 111 | None | -3 | 23 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL14376 | 8787 | 111 | None | -3 | 23 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| DB04946 | 8787 | 111 | None | -3 | 23 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 1343 | 8670 | 62 | None | -9 | 12 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 3519 | 8670 | 62 | None | -9 | 12 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 522 | 8670 | 62 | None | -9 | 12 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL862 | 8670 | 62 | None | -9 | 12 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| DB01018 | 8670 | 62 | None | -9 | 12 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 2683 | 10606 | 60 | None | -10 | 6 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 5487 | 10606 | 60 | None | -10 | 6 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 7308 | 10606 | 60 | None | -10 | 6 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1079 | 10606 | 60 | None | -10 | 6 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| DB00697 | 10606 | 60 | None | -10 | 6 | Human | 8.0 | pAC50 | = | 8.0 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 4209 | 9937 | 75 | None | -24 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 4893 | 9937 | 75 | None | -24 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 503 | 9937 | 75 | None | -24 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5385 | 9937 | 75 | None | -24 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2 | 9937 | 75 | None | -24 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| DB00457 | 9937 | 75 | None | -24 | 17 | Human | 8.0 | pAC50 | = | 8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 12574 | 9383 | 88 | None | -1 | 8 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| 4810 | 9383 | 88 | None | -1 | 8 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL19236 | 9383 | 88 | None | -1 | 8 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| DB09242 | 9383 | 88 | None | -1 | 8 | Human | 7.1 | pAC50 | = | 7.1 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | 10.1038/s41467-023-40064-9 | ||
| 2419 | 10236 | 84 | None | -3019 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5152 | 10236 | 84 | None | -3019 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 559 | 10236 | 84 | None | -3019 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1263 | 10236 | 84 | None | -3019 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00938 | 10236 | 84 | None | -3019 | 14 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 25102847 | 84996 | 93 | None | -7 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105717 | 84996 | 93 | None | -7 | 10 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 3397 | 212267 | 112 | None | -1 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL806 | 212267 | 112 | None | -1 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 9688 | 112 | None | -14 | 33 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 47 | 9688 | 112 | None | -14 | 33 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL715 | 9688 | 112 | None | -14 | 33 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00334 | 9688 | 112 | None | -14 | 33 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 277 | 8083 | 62 | None | -954 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2913 | 8083 | 62 | None | -954 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 765 | 8083 | 62 | None | -954 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL516 | 8083 | 62 | None | -954 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00434 | 8083 | 62 | None | -954 | 29 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 610479 | 22272 | 90 | None | 1 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 261 | 3 | 2 | 2 | 4.1 | Cc1c(Cl)cccc1Nc1ccccc1C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL121626 | 22272 | 90 | None | 1 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 261 | 3 | 2 | 2 | 4.1 | Cc1c(Cl)cccc1Nc1ccccc1C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 3280 | 55223 | 28 | None | -5 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1555736 | 55223 | 28 | None | -5 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | ||
| 3166 | 176199 | 23 | None | -1230 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL442444 | 176199 | 23 | None | -1230 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 2583 | 10548 | 118 | None | -3019 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 592 | 10548 | 118 | None | -3019 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 65999 | 10548 | 118 | None | -3019 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1017 | 10548 | 118 | None | -3019 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00966 | 10548 | 118 | None | -3019 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1201549 | 7384 | 24 | None | -138 | 26 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 333 | 7384 | 24 | None | -138 | 26 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7601 | 7384 | 24 | None | -138 | 26 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201203 | 7384 | 24 | None | -138 | 26 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL438151 | 7384 | 24 | None | -138 | 26 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00245 | 7384 | 24 | None | -138 | 26 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2600 | 10551 | 74 | None | -151 | 32 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2608 | 10551 | 74 | None | -151 | 32 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5405 | 10551 | 74 | None | -151 | 32 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17157 | 10551 | 74 | None | -151 | 32 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00342 | 10551 | 74 | None | -151 | 32 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 1400 | 8738 | 70 | None | -15 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 8738 | 70 | None | -15 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7199 | 8738 | 70 | None | -15 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 91513 | 8738 | 70 | None | -15 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL896 | 8738 | 70 | None | -15 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00557 | 8738 | 70 | None | -15 | 16 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3678 | 101567 | 57 | None | -33 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL253371 | 101567 | 57 | None | -33 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01616 | 101567 | 57 | None | -33 | 8 | Human | 6.0 | pAC50 | = | 6.0 | Functional | ChEMBL | 281 | 9 | 0 | 1 | 4.6 | CCN(CCCc1ccccc1)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7019 | 174755 | 106 | None | -2 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 194 | 0 | 1 | 2 | 3.0 | Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1308088 | 174755 | 106 | None | -2 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 194 | 0 | 1 | 2 | 3.0 | Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43184 | 174755 | 106 | None | -2 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 194 | 0 | 1 | 2 | 3.0 | Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 150311 | 16584 | 102 | None | -2 | 7 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1138 | 16584 | 102 | None | -2 | 7 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 10934575 | 211265 | 0 | None | 3 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 211265 | 0 | None | 3 | 5 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44362146 | 171713 | 1 | None | 50 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL422477 | 171713 | 1 | None | 50 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44574074 | 196248 | 0 | None | 977 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 2.7 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL513691 | 196248 | 0 | None | 977 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 2.7 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 11109088 | 210959 | 0 | None | 1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 210959 | 0 | None | 1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 22493318 | 51531 | 0 | None | 13 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152155 | 51531 | 0 | None | 13 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44362194 | 41156 | 1 | None | 10 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142784 | 41156 | 1 | None | 10 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493352 | 55048 | 0 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155326 | 55048 | 0 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 22493236 | 67170 | 0 | None | 5 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17491 | 67170 | 0 | None | 5 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44271661 | 168575 | 0 | None | -1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL414185 | 168575 | 0 | None | -1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44271661 | 168575 | 0 | None | -1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL414185 | 168575 | 0 | None | -1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493280 | 55049 | 0 | None | 1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155327 | 55049 | 0 | None | 1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44271661 | 168575 | 0 | None | -1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL414185 | 168575 | 0 | None | -1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44369431 | 52129 | 0 | None | 57 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152693 | 52129 | 0 | None | 57 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44362208 | 42207 | 1 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143801 | 42207 | 1 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493258 | 105440 | 0 | None | 5 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL277375 | 105440 | 0 | None | 5 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44574078 | 185540 | 0 | None | 120 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL468711 | 185540 | 0 | None | 120 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44219718 | 195625 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 280 | 2 | 0 | 4 | 2.8 | Fc1ccc(-c2cncnc2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL506744 | 195625 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 280 | 2 | 0 | 4 | 2.8 | Fc1ccc(-c2cncnc2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44362286 | 105662 | 1 | None | 7 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1coc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL279136 | 105662 | 1 | None | 7 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1coc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44362195 | 127867 | 0 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL357129 | 127867 | 0 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493263 | 104860 | 0 | None | 50 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL273316 | 104860 | 0 | None | 50 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493365 | 105240 | 0 | None | 15 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL275844 | 105240 | 0 | None | 15 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329788 | 214881 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 2.1 | CCC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL97859 | 214881 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 2.1 | CCC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11098175 | 210949 | 0 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL70691 | 210949 | 0 | None | 2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 10221005 | 211101 | 0 | None | 72 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71479 | 211101 | 0 | None | 72 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 44362185 | 127807 | 0 | None | 19 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL356605 | 127807 | 0 | None | 19 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493343 | 70745 | 0 | None | 19 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18069 | 70745 | 0 | None | 19 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44343410 | 18327 | 2 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL118055 | 18327 | 2 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9837963 | 69745 | 0 | None | 8 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17851 | 69745 | 0 | None | 8 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329796 | 215158 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL99559 | 215158 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493289 | 56462 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156661 | 56462 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11034737 | 211307 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 211307 | 0 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44362145 | 41257 | 3 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 242 | 4 | 2 | 4 | 1.5 | c1ccc(-c2ncc[nH]2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142864 | 41257 | 3 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 242 | 4 | 2 | 4 | 1.5 | c1ccc(-c2ncc[nH]2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493401 | 215028 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 288 | 7 | 2 | 4 | 2.0 | CCCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL98769 | 215028 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 288 | 7 | 2 | 4 | 2.0 | CCCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493225 | 69286 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 270 | 4 | 2 | 6 | 1.2 | Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17819 | 69286 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 270 | 4 | 2 | 6 | 1.2 | Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44574878 | 185326 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1cccc(C2CCc3nc[nH]c3C2)c1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466916 | 185326 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1cccc(C2CCc3nc[nH]c3C2)c1 | 10.1016/j.bmcl.2009.03.162 | ||
| 22493372 | 127016 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncc(-c2ccccc2NCC2=NCCN2)o1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL352225 | 127016 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncc(-c2ccccc2NCC2=NCCN2)o1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11059195 | 108949 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 321 | 4 | 2 | 5 | 1.5 | CS(=O)(=O)c1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL302698 | 108949 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 321 | 4 | 2 | 5 | 1.5 | CS(=O)(=O)c1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44574987 | 185456 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 250 | 3 | 0 | 3 | 2.8 | FC(F)Oc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL467915 | 185456 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 250 | 3 | 0 | 3 | 2.8 | FC(F)Oc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 76632 | 106826 | 51 | None | -5 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 181 | 4 | 1 | 3 | 1.2 | COc1ccc(OC)c(CCN)c1 | 10.1021/jm00144a012 | ||
| CHEMBL287047 | 106826 | 51 | None | -5 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 181 | 4 | 1 | 3 | 1.2 | COc1ccc(OC)c(CCN)c1 | 10.1021/jm00144a012 | ||
| 44449657 | 102841 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 2 | 1 | 3 | 3.5 | Cc1oncc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260009 | 102841 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 265 | 2 | 1 | 3 | 3.5 | Cc1oncc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44571891 | 176795 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 3 | 1 | 4 | 2.8 | Cc1noc(Cc2cccc3c2CC[C@H]3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL444252 | 176795 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 280 | 3 | 1 | 4 | 2.8 | Cc1noc(Cc2cccc3c2CC[C@H]3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| 2435 | 7509 | 100 | None | -25 | 10 | Bovine | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 395 | 7509 | 100 | None | -25 | 10 | Bovine | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 520 | 7509 | 100 | None | -25 | 10 | Bovine | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 5386 | 7509 | 100 | None | -25 | 10 | Bovine | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| CHEMBL844 | 7509 | 100 | None | -25 | 10 | Bovine | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| DB00484 | 7509 | 100 | None | -25 | 10 | Bovine | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 44449690 | 102936 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 261 | 2 | 1 | 2 | 3.6 | c1ccc(-c2cccc3c2CCC3c2ncc[nH]2)nc1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260575 | 102936 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 261 | 2 | 1 | 2 | 3.6 | c1ccc(-c2cccc3c2CCC3c2ncc[nH]2)nc1 | 10.1016/j.bmcl.2008.03.070 | ||
| 1960 | 9632 | 67 | None | -97 | 19 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 439260 | 9632 | 67 | None | -97 | 19 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 505 | 9632 | 67 | None | -97 | 19 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| CHEMBL1437 | 9632 | 67 | None | -97 | 19 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| DB00368 | 9632 | 67 | None | -97 | 19 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 44574105 | 185587 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 305 | 5 | 1 | 4 | 1.3 | CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL469127 | 185587 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 305 | 5 | 1 | 4 | 1.3 | CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574045 | 196065 | 0 | None | 60 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL512062 | 196065 | 0 | None | 60 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
| 2765 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| 515 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL13852 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| DB09202 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| 22493274 | 17810 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 258 | 4 | 2 | 4 | 2.1 | c1ccc(N2CCCCC2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117581 | 17810 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 258 | 4 | 2 | 4 | 2.1 | c1ccc(N2CCCCC2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 10015132 | 170648 | 1 | None | 29 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL420683 | 170648 | 1 | None | 29 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9817256 | 211017 | 0 | None | 251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL71001 | 211017 | 0 | None | 251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 2765 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| 515 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL13852 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| DB09202 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10038958 | 125503 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 273 | 4 | 1 | 5 | 2.5 | Cc1cnsc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL341747 | 125503 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 273 | 4 | 1 | 5 | 2.5 | Cc1cnsc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10015132 | 170648 | 1 | None | 29 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL420683 | 170648 | 1 | None | 29 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493265 | 68908 | 0 | None | 19 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17776 | 68908 | 0 | None | 19 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 2765 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 515 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL13852 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| DB09202 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329790 | 119323 | 0 | None | 5 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL329928 | 119323 | 0 | None | 5 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493224 | 215124 | 4 | None | 6 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL99362 | 215124 | 4 | None | 6 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 2765 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| 515 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL13852 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| DB09202 | 7730 | 19 | None | 4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| 12924821 | 109674 | 7 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 207 | 2 | 1 | 3 | 1.5 | COc1ccc(OC)c2c1CCC(N)C2 | 10.1021/jm00144a012 | ||
| CHEMBL30596 | 109674 | 7 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 207 | 2 | 1 | 3 | 1.5 | COc1ccc(OC)c2c1CCC(N)C2 | 10.1021/jm00144a012 | ||
| 44593577 | 185243 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.7 | c1ccc(C2CCc3nc[nH]c3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466296 | 185243 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.7 | c1ccc(C2CCc3nc[nH]c3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44343251 | 17292 | 2 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 251 | 4 | 2 | 4 | 1.4 | CS(=O)(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL116843 | 17292 | 2 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 251 | 4 | 2 | 4 | 1.4 | CS(=O)(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362510 | 125711 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1cccc(-c2ccccc2OCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL342324 | 125711 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1cccc(-c2ccccc2OCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493257 | 214425 | 3 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 272 | 4 | 2 | 4 | 1.3 | O=C(c1ccccc1NCC1=NCCN1)N1CCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95245 | 214425 | 3 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 272 | 4 | 2 | 4 | 1.3 | O=C(c1ccccc1NCC1=NCCN1)N1CCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44362289 | 128475 | 1 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 254 | 4 | 1 | 5 | 1.5 | c1cnc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL358802 | 128475 | 1 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 254 | 4 | 1 | 5 | 1.5 | c1cnc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44449306 | 102381 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 305 | 5 | 2 | 3 | 2.6 | CCCS(=O)(=O)Nc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257801 | 102381 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 305 | 5 | 2 | 3 | 2.6 | CCCS(=O)(=O)Nc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44449730 | 162887 | 0 | None | 22 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2cn[nH]c2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL406316 | 162887 | 0 | None | 22 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2cn[nH]c2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 9817256 | 211017 | 0 | None | 251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71001 | 211017 | 0 | None | 251 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 44449278 | 102427 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257977 | 102427 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44574877 | 185320 | 0 | None | 23 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466869 | 185320 | 0 | None | 23 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44574135 | 195957 | 0 | None | 18 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL511211 | 195957 | 0 | None | 18 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 22493269 | 53600 | 0 | None | 6 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154023 | 53600 | 0 | None | 6 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44343257 | 17272 | 0 | None | 13 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL116700 | 17272 | 0 | None | 13 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| 10199052 | 214733 | 0 | None | 5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL97044 | 214733 | 0 | None | 5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 619552 | 109475 | 3 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 250 | 2 | 0 | 3 | 2.5 | Cn1nc(Cc2ccccc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL304747 | 109475 | 3 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 250 | 2 | 0 | 3 | 2.5 | Cn1nc(Cc2ccccc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 45280075 | 129141 | 0 | None | -91 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 430 | 10 | 4 | 6 | 2.5 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3600395 | 129141 | 0 | None | -91 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 430 | 10 | 4 | 6 | 2.5 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 44343235 | 16969 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 241 | 4 | 1 | 4 | 2.6 | c1ccc(-c2ccno2)c(OCc2c[nH]cn2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL115977 | 16969 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 241 | 4 | 1 | 4 | 2.6 | c1ccc(-c2ccno2)c(OCc2c[nH]cn2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362013 | 42157 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 4 | 1 | 5 | 2.5 | Cc1cc(-c2ccccc2OCC2=NCCN2)sn1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143766 | 42157 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 273 | 4 | 1 | 5 | 2.5 | Cc1cc(-c2ccccc2OCC2=NCCN2)sn1 | 10.1016/s0960-894x(01)00764-8 | ||
| 481 | 9667 | 7 | None | 8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 9838763 | 9667 | 7 | None | 8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| CHEMBL72958 | 9667 | 7 | None | 8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 10199335 | 211526 | 0 | None | 120 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74467 | 211526 | 0 | None | 120 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44574834 | 179400 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 184 | 1 | 1 | 1 | 2.3 | c1ccc2c(c1)CC(c1ncc[nH]1)C2 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL449279 | 179400 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 184 | 1 | 1 | 1 | 2.3 | c1ccc2c(c1)CC(c1ncc[nH]1)C2 | 10.1016/j.bmcl.2009.03.162 | ||
| 2146 | 9874 | 67 | None | -186 | 15 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 485 | 9874 | 67 | None | -186 | 15 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 6041 | 9874 | 67 | None | -186 | 15 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| CHEMBL1215 | 9874 | 67 | None | -186 | 15 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| DB00388 | 9874 | 67 | None | -186 | 15 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 44449247 | 102189 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.8 | COc1c(C)ccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL256984 | 102189 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.8 | COc1c(C)ccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44571843 | 186100 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 242 | 4 | 1 | 2 | 2.7 | COCCc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL473425 | 186100 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 242 | 4 | 1 | 2 | 2.7 | COCCc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 44571937 | 196329 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 282 | 3 | 1 | 3 | 2.9 | Fc1ccn(Cc2cccc3c2CCC3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL514333 | 196329 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 282 | 3 | 1 | 3 | 2.9 | Fc1ccn(Cc2cccc3c2CCC3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| 9794803 | 17778 | 2 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL117381 | 17778 | 2 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44449692 | 163764 | 0 | None | 8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 251 | 2 | 1 | 3 | 3.1 | c1cc(-c2ncco2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL407308 | 163764 | 0 | None | 8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 251 | 2 | 1 | 3 | 3.1 | c1cc(-c2ncco2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 44281493 | 106772 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 247 | 2 | 1 | 3 | 2.5 | COc1ccc(OC)c2c1CC[C@H]1NCCCC21 | 10.1021/jm00144a012 | ||
| CHEMBL286702 | 106772 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 247 | 2 | 1 | 3 | 2.5 | COc1ccc(OC)c2c1CC[C@H]1NCCCC21 | 10.1021/jm00144a012 | ||
| 44574106 | 185205 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 317 | 3 | 1 | 3 | 3.3 | CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL466012 | 185205 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 317 | 3 | 1 | 3 | 3.3 | CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574107 | 195539 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 280 | 2 | 0 | 4 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL505414 | 195539 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 280 | 2 | 0 | 4 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574935 | 179401 | 0 | None | 19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL449284 | 179401 | 0 | None | 19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 9794803 | 17778 | 2 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117381 | 17778 | 2 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9859855 | 67171 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 254 | 4 | 2 | 4 | 2.1 | Cn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17492 | 67171 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 254 | 4 | 2 | 4 | 2.1 | Cn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00569-8 | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00569-8 | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00569-8 | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00569-8 | ||
| 22493320 | 10976 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL100198 | 10976 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329481 | 11004 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 7 | 2 | 5 | 2.4 | CCC(CC)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL100383 | 11004 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 7 | 2 | 5 | 2.4 | CCC(CC)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 10378649 | 115370 | 0 | None | 15 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL320419 | 115370 | 0 | None | 15 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00822-8 | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00822-8 | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00822-8 | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1016/s0960-894x(01)00822-8 | ||
| 11811395 | 211480 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74071 | 211480 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44571844 | 179334 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 295 | 4 | 2 | 2 | 3.1 | FC(F)(F)CNCc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL448510 | 179334 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 295 | 4 | 2 | 2 | 3.1 | FC(F)(F)CNCc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 22493367 | 72959 | 0 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18436 | 72959 | 0 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44574075 | 179355 | 0 | None | 72 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL448802 | 179355 | 0 | None | 72 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44369351 | 126380 | 0 | None | 2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL346380 | 126380 | 0 | None | 2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11140347 | 211312 | 1 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 211312 | 1 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44362196 | 41262 | 1 | None | 7 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142871 | 41262 | 1 | None | 7 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44362288 | 42403 | 1 | None | 251 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 254 | 4 | 1 | 5 | 1.5 | c1ccc(-c2cnccn2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143973 | 42403 | 1 | None | 251 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 254 | 4 | 1 | 5 | 1.5 | c1ccc(-c2cnccn2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9881853 | 105250 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 268 | 5 | 2 | 4 | 2.6 | CCn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL275902 | 105250 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 268 | 5 | 2 | 4 | 2.6 | CCn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 10198532 | 214475 | 0 | None | 1 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95523 | 214475 | 0 | None | 1 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44369434 | 52155 | 0 | None | 17 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.7 | Cc1ccc(-c2ccccc2NCC2=NCCN2)o1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152725 | 52155 | 0 | None | 17 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.7 | Cc1ccc(-c2ccccc2NCC2=NCCN2)o1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9947861 | 210941 | 0 | None | 21 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70634 | 210941 | 0 | None | 21 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 10422033 | 127753 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 5 | 2 | 5 | 1.5 | CO/N=C(\C)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL356195 | 127753 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 5 | 2 | 5 | 1.5 | CO/N=C(\C)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44281250 | 121584 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 247 | 2 | 1 | 3 | 2.5 | COc1ccc(OC)c2c1CC[C@@H]1NCCCC21 | 10.1021/jm00144a012 | ||
| CHEMBL33405 | 121584 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 247 | 2 | 1 | 3 | 2.5 | COc1ccc(OC)c2c1CC[C@@H]1NCCCC21 | 10.1021/jm00144a012 | ||
| 44449691 | 102937 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 261 | 2 | 1 | 2 | 3.6 | c1cncc(-c2cccc3c2CCC3c2ncc[nH]2)c1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260576 | 102937 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 261 | 2 | 1 | 2 | 3.6 | c1cncc(-c2cccc3c2CCC3c2ncc[nH]2)c1 | 10.1016/j.bmcl.2008.03.070 | ||
| 4038180 | 6992 | 14 | None | -1 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 480 | 6992 | 14 | None | -1 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL109783 | 6992 | 14 | None | -1 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 44449278 | 102427 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257977 | 102427 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 10135864 | 129296 | 0 | None | -10 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 9 | 4 | 6 | 1.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601200 | 129296 | 0 | None | -10 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 9 | 4 | 6 | 1.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 44574937 | 185440 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 214 | 2 | 0 | 3 | 2.2 | COc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL467688 | 185440 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 214 | 2 | 0 | 3 | 2.2 | COc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44449276 | 102426 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 241 | 2 | 2 | 2 | 1.8 | CNC(=O)c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257976 | 102426 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 241 | 2 | 2 | 2 | 1.8 | CNC(=O)c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 11090351 | 170170 | 0 | None | 20 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL419448 | 170170 | 0 | None | 20 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44449278 | 102427 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257977 | 102427 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44593577 | 185243 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.7 | c1ccc(C2CCc3nc[nH]c3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466296 | 185243 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.7 | c1ccc(C2CCc3nc[nH]c3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 10221004 | 211010 | 0 | None | 20 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70973 | 211010 | 0 | None | 20 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 22493356 | 53785 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 266 | 4 | 2 | 4 | 2.5 | Cc1cccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154170 | 53785 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 266 | 4 | 2 | 4 | 2.5 | Cc1cccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 10804826 | 30387 | 2 | None | 1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL133451 | 30387 | 2 | None | 1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 216249 | 8087 | 51 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 317 | 5 | 2 | 5 | 1.4 | Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1 | 10.1016/j.bmcl.2008.03.070 | ||
| 3469 | 8087 | 51 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 317 | 5 | 2 | 5 | 1.4 | Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257978 | 8087 | 51 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 317 | 5 | 2 | 5 | 1.4 | Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1 | 10.1016/j.bmcl.2008.03.070 | ||
| 10423384 | 41370 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.1 | Cc1ccc(-c2ccccc2OCC2=NCCN2)s1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142958 | 41370 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 272 | 4 | 1 | 4 | 3.1 | Cc1ccc(-c2ccccc2OCC2=NCCN2)s1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10084685 | 126214 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 273 | 4 | 1 | 5 | 2.5 | Cc1csc(-c2ccccc2OCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL344957 | 126214 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 273 | 4 | 1 | 5 | 2.5 | Cc1csc(-c2ccccc2OCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10221066 | 169941 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 269 | 5 | 2 | 5 | 2.0 | CCn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL417999 | 169941 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 269 | 5 | 2 | 5 | 2.0 | CCn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44271931 | 105169 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 283 | 6 | 2 | 5 | 2.4 | CCCn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL275386 | 105169 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 283 | 6 | 2 | 5 | 2.4 | CCCn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 10180440 | 129297 | 0 | None | -6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 420 | 10 | 4 | 7 | 1.6 | COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601201 | 129297 | 0 | None | -6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 420 | 10 | 4 | 7 | 1.6 | COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 2683 | 10606 | 60 | None | 1 | 6 | Bovine | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 5487 | 10606 | 60 | None | 1 | 6 | Bovine | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 7308 | 10606 | 60 | None | 1 | 6 | Bovine | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| CHEMBL1079 | 10606 | 60 | None | 1 | 6 | Bovine | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| DB00697 | 10606 | 60 | None | 1 | 6 | Bovine | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | nan | ||
| 44574138 | 185284 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 268 | 2 | 0 | 4 | 2.5 | Fc1ccc(C2Cc3nccn3C2)c(-n2cccn2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL466635 | 185284 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 268 | 2 | 0 | 4 | 2.5 | Fc1ccc(C2Cc3nccn3C2)c(-n2cccn2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44593557 | 190697 | 11 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL481322 | 190697 | 11 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44574874 | 185172 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 232 | 1 | 1 | 1 | 3.3 | Clc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL465599 | 185172 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 232 | 1 | 1 | 1 | 3.3 | Clc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 122184771 | 129298 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 434 | 11 | 4 | 7 | 2.0 | CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601202 | 129298 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 434 | 11 | 4 | 7 | 2.0 | CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 44449723 | 162913 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 264 | 2 | 1 | 3 | 2.9 | Cn1nccc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL406348 | 162913 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 264 | 2 | 1 | 3 | 2.9 | Cn1nccc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 124 | 9755 | 47 | None | -52 | 25 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2032 | 9755 | 47 | None | -52 | 25 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 4636 | 9755 | 47 | None | -52 | 25 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| CHEMBL762 | 9755 | 47 | None | -52 | 25 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| DB00935 | 9755 | 47 | None | -52 | 25 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2146 | 9874 | 67 | None | -20 | 15 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 485 | 9874 | 67 | None | -20 | 15 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 6041 | 9874 | 67 | None | -20 | 15 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| CHEMBL1215 | 9874 | 67 | None | -20 | 15 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| DB00388 | 9874 | 67 | None | -20 | 15 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 44574134 | 185283 | 0 | None | 91 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL466634 | 185283 | 0 | None | 91 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574077 | 185539 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 267 | 2 | 0 | 4 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL468710 | 185539 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 267 | 2 | 0 | 4 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2nccs2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574136 | 195820 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(-c2ccn[nH]2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL509350 | 195820 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(-c2ccn[nH]2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44449725 | 102965 | 0 | None | 208 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260720 | 102965 | 0 | None | 208 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44269124 | 35591 | 1 | None | 23 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL13789 | 35591 | 1 | None | 23 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44269124 | 35591 | 1 | None | 23 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL13789 | 35591 | 1 | None | 23 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10060965 | 42008 | 1 | None | 39 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143562 | 42008 | 1 | None | 39 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9816515 | 69752 | 0 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17856 | 69752 | 0 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329797 | 114883 | 0 | None | 67 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL319553 | 114883 | 0 | None | 67 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 10244367 | 56817 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 6 | 2 | 5 | 1.9 | CC/C(=N\OC)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156950 | 56817 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 260 | 6 | 2 | 5 | 1.9 | CC/C(=N\OC)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11000184 | 19824 | 0 | None | 4 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 19824 | 0 | None | 4 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 19824 | 0 | None | 4 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44343247 | 117412 | 0 | None | 15 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL325745 | 117412 | 0 | None | 15 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 15959112 | 210311 | 0 | None | -1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 5 | 2.7 | Oc1nnc(Cc2ccc3c(c2)OCO3)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL66433 | 210311 | 0 | None | -1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 5 | 2.7 | Oc1nnc(Cc2ccc3c(c2)OCO3)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| 11264016 | 106422 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 193 | 2 | 1 | 3 | 1.1 | COc1ccc(OC)c2c1CC(N)C2 | 10.1021/jm00144a012 | ||
| CHEMBL284307 | 106422 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 193 | 2 | 1 | 3 | 1.1 | COc1ccc(OC)c2c1CC(N)C2 | 10.1021/jm00144a012 | ||
| 44281507 | 106703 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 1 | 3 | 2.4 | COc1ccc(OC)c2c1C1CCC2[C@@H](N)C1 | 10.1021/jm00144a012 | ||
| CHEMBL286226 | 106703 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 1 | 3 | 2.4 | COc1ccc(OC)c2c1C1CCC2[C@@H](N)C1 | 10.1021/jm00144a012 | ||
| 44280965 | 106759 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 1 | 3 | 2.4 | COc1ccc(OC)c2c1C1CCC2[C@H](N)C1 | 10.1021/jm00144a012 | ||
| CHEMBL286609 | 106759 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 1 | 3 | 2.4 | COc1ccc(OC)c2c1C1CCC2[C@H](N)C1 | 10.1021/jm00144a012 | ||
| 10804826 | 30387 | 2 | None | -1 | 2 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL133451 | 30387 | 2 | None | -1 | 2 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 44593557 | 190697 | 11 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL481322 | 190697 | 11 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44593557 | 190697 | 11 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL481322 | 190697 | 11 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 9816986 | 170918 | 0 | None | 21 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL421011 | 170918 | 0 | None | 21 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9816986 | 170918 | 0 | None | 21 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL421011 | 170918 | 0 | None | 21 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9816986 | 170918 | 0 | None | 21 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL421011 | 170918 | 0 | None | 21 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44593577 | 185243 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.7 | c1ccc(C2CCc3nc[nH]c3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466296 | 185243 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.7 | c1ccc(C2CCc3nc[nH]c3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 481 | 9667 | 7 | None | 8 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1016/s0960-894x(01)00764-8 | ||
| 9838763 | 9667 | 7 | None | 8 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL72958 | 9667 | 7 | None | 8 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1016/s0960-894x(01)00764-8 | ||
| 22493344 | 105438 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 323 | 5 | 2 | 5 | 2.5 | FC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL277361 | 105438 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 323 | 5 | 2 | 5 | 2.5 | FC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44449277 | 161962 | 2 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 214 | 2 | 1 | 2 | 2.5 | COc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL402388 | 161962 | 2 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 214 | 2 | 1 | 2 | 2.5 | COc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44449305 | 162389 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL404566 | 162389 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44571889 | 190808 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.7 | c1cc(Cn2cccn2)c2c(c1)[C@H](c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL482148 | 190808 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 3 | 2.7 | c1cc(Cn2cccn2)c2c(c1)[C@H](c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.10.066 | ||
| 44449337 | 161895 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 2 | 2 | 2 | 3.5 | Clc1ccc2c(c1-c1ccn[nH]1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL402003 | 161895 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 284 | 2 | 2 | 2 | 3.5 | Clc1ccc2c(c1-c1ccn[nH]1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 22493272 | 51529 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1nc(-c2ccccc2NCC2=NCCN2)co1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152154 | 51529 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1nc(-c2ccccc2NCC2=NCCN2)co1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44574133 | 195155 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(C2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL501404 | 195155 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(C2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 122184835 | 129319 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 10 | 5 | 7 | 1.1 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601310 | 129319 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 10 | 5 | 7 | 1.1 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 44449249 | 101973 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | Cc1ccc2c(c1NS(C)(=O)=O)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL255938 | 101973 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | Cc1ccc2c(c1NS(C)(=O)=O)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 10420352 | 175519 | 10 | None | -83 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| CHEMBL43711 | 175519 | 10 | None | -83 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| 44280982 | 106540 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 2 | 1 | 3 | 1.3 | COc1ccc(OC)c2c1CC1C2[C@@H]1N | 10.1021/jm00144a012 | ||
| CHEMBL285082 | 106540 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 205 | 2 | 1 | 3 | 1.3 | COc1ccc(OC)c2c1CC1C2[C@@H]1N | 10.1021/jm00144a012 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 44574936 | 185409 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL467495 | 185409 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44369646 | 126941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccc(-c2ccccc2NCC2=NCCN2)s1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL351543 | 126941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccc(-c2ccccc2NCC2=NCCN2)s1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44571841 | 186099 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 228 | 3 | 1 | 2 | 2.6 | COCc1cccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL473424 | 186099 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 228 | 3 | 1 | 2 | 2.6 | COCc1cccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 44574988 | 196008 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 227 | 2 | 1 | 3 | 1.3 | NC(=O)c1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL511576 | 196008 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 227 | 2 | 1 | 3 | 1.3 | NC(=O)c1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 521 | 8186 | 69 | None | -501 | 5 | Bovine | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 5311068 | 8186 | 69 | None | -501 | 5 | Bovine | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 835 | 8186 | 69 | None | -501 | 5 | Bovine | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| CHEMBL778 | 8186 | 69 | None | -501 | 5 | Bovine | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| DB00633 | 8186 | 69 | None | -501 | 5 | Bovine | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | nan | ||
| 22493349 | 126465 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1cc(-c2ccccc2NCC2=NCCN2)on1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL347268 | 126465 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1cc(-c2ccccc2NCC2=NCCN2)on1 | 10.1016/s0960-894x(01)00822-8 | ||
| 17804479 | 102435 | 19 | None | -1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL258007 | 102435 | 19 | None | -1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 10083742 | 41380 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 256 | 4 | 1 | 5 | 1.5 | Cn1nccc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142967 | 41380 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 256 | 4 | 1 | 5 | 1.5 | Cn1nccc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44329739 | 119101 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 287 | 5 | 2 | 5 | 2.2 | O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL329272 | 119101 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 287 | 5 | 2 | 5 | 2.2 | O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 104452 | 209880 | 73 | None | -4 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccc(Cl)cc2)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL63976 | 209880 | 73 | None | -4 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccc(Cl)cc2)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| 22493381 | 104858 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1cc(-c2ccccc2NCC2=NCCN2)cn1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL273312 | 104858 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1cc(-c2ccccc2NCC2=NCCN2)cn1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493231 | 214444 | 0 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95333 | 214444 | 0 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44574104 | 196268 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 1 | 4 | 3.3 | CS(=O)(=O)Nc1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL513871 | 196268 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 353 | 4 | 1 | 4 | 3.3 | CS(=O)(=O)Nc1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 9838376 | 175079 | 0 | None | 15 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)cs1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL434074 | 175079 | 0 | None | 15 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)cs1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11108001 | 17644 | 2 | None | -2 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 17644 | 2 | None | -2 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 17644 | 2 | None | -2 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9816460 | 126671 | 0 | None | 39 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL349082 | 126671 | 0 | None | 39 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 1028 | 7079 | 71 | None | 1 | 19 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 139148732 | 7079 | 71 | None | 1 | 19 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 479 | 7079 | 71 | None | 1 | 19 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 5816 | 7079 | 71 | None | 1 | 19 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| CHEMBL679 | 7079 | 71 | None | 1 | 19 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| DB00668 | 7079 | 71 | None | 1 | 19 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 11058166 | 211484 | 0 | None | 10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74114 | 211484 | 0 | None | 10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44574986 | 195989 | 0 | None | 7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL511411 | 195989 | 0 | None | 7 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 22493415 | 56747 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 268 | 4 | 3 | 6 | 1.1 | Nc1nccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156893 | 56747 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 268 | 4 | 3 | 6 | 1.1 | Nc1nccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44449686 | 102859 | 0 | None | 7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 267 | 2 | 1 | 3 | 3.6 | c1cc(-c2nccs2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260116 | 102859 | 0 | None | 7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 267 | 2 | 1 | 3 | 3.6 | c1cc(-c2nccs2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 25066019 | 102187 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL256982 | 102187 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 25066019 | 102187 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL256982 | 102187 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.162 | ||
| 25066019 | 102187 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL256982 | 102187 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 11079593 | 210894 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70326 | 210894 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 15959119 | 83831 | 0 | None | -1 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 3.8 | C=CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207277 | 83831 | 0 | None | -1 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 3.8 | C=CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 44369647 | 53981 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnoc2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154346 | 53981 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnoc2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44449248 | 101972 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.2 | COc1c(Cl)ccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL255937 | 101972 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.2 | COc1c(Cl)ccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44449338 | 102466 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 184 | 1 | 1 | 1 | 2.5 | c1ccc2c(c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL258178 | 102466 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 184 | 1 | 1 | 1 | 2.5 | c1ccc2c(c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44449338 | 102466 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 184 | 1 | 1 | 1 | 2.5 | c1ccc2c(c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL258178 | 102466 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 184 | 1 | 1 | 1 | 2.5 | c1ccc2c(c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44593580 | 185321 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 242 | 3 | 1 | 2 | 2.8 | COCc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466876 | 185321 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 242 | 3 | 1 | 2 | 2.8 | COCc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 11747739 | 20007 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1191324 | 20007 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL542402 | 20007 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44574103 | 179367 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 250 | 2 | 0 | 4 | 2.4 | c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL448908 | 179367 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 250 | 2 | 0 | 4 | 2.4 | c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574137 | 195869 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 268 | 2 | 0 | 4 | 2.5 | Fc1ccc(-n2cccn2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL510023 | 195869 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 268 | 2 | 0 | 4 | 2.5 | Fc1ccc(-n2cccn2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 11108001 | 17644 | 2 | None | -2 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117248 | 17644 | 2 | None | -2 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL540542 | 17644 | 2 | None | -2 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362149 | 40706 | 0 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142387 | 40706 | 0 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44362150 | 126168 | 0 | None | 15 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 2 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL344551 | 126168 | 0 | None | 15 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 2 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10859076 | 20454 | 0 | None | 5 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1194763 | 20454 | 0 | None | 5 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL553276 | 20454 | 0 | None | 5 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 6604803 | 123296 | 2 | None | 1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL336161 | 123296 | 2 | None | 1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 6604803 | 123296 | 2 | None | -1 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL336161 | 123296 | 2 | None | -1 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 4038180 | 6992 | 14 | None | 1 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 480 | 6992 | 14 | None | 1 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL109783 | 6992 | 14 | None | 1 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 9816461 | 17491 | 7 | None | 60 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117094 | 17491 | 7 | None | 60 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL544290 | 17491 | 7 | None | 60 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44343245 | 117392 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 256 | 4 | 2 | 3 | 3.0 | c1ccc(N2CCCCC2)c(NCc2c[nH]cn2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL325648 | 117392 | 2 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 256 | 4 | 2 | 3 | 3.0 | c1ccc(N2CCCCC2)c(NCc2c[nH]cn2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44343275 | 117551 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 240 | 4 | 2 | 4 | 2.7 | c1ccc(-c2cnco2)c(NCc2c[nH]cn2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL326067 | 117551 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 240 | 4 | 2 | 4 | 2.7 | c1ccc(-c2cnco2)c(NCc2c[nH]cn2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 22493233 | 176066 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 268 | 4 | 2 | 4 | 2.4 | Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL441412 | 176066 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 268 | 4 | 2 | 4 | 2.4 | Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C | 10.1016/s0960-894x(03)00050-7 | ||
| 9903313 | 179457 | 0 | None | 5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL450018 | 179457 | 0 | None | 5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493379 | 214905 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL98016 | 214905 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493411 | 174809 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.6 | CCC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL432192 | 174809 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.6 | CCC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329701 | 214457 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95398 | 214457 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44574044 | 185210 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.1 | N#Cc1ccccc1[C@@H]1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL466046 | 185210 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.1 | N#Cc1ccccc1[C@@H]1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44219719 | 185457 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.1 | N#Cc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL467916 | 185457 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.1 | N#Cc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 10399043 | 126940 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL351542 | 126940 | 0 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 10916464 | 210932 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70563 | 210932 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44574875 | 195422 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 232 | 1 | 1 | 1 | 3.3 | Clc1cccc(C2CCc3nc[nH]c3C2)c1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL503269 | 195422 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 232 | 1 | 1 | 1 | 3.3 | Clc1cccc(C2CCc3nc[nH]c3C2)c1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44449245 | 102188 | 0 | None | 6 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL256983 | 102188 | 0 | None | 6 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 22493347 | 126390 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 260 | 6 | 2 | 5 | 1.9 | CCO/N=C(\C)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL346465 | 126390 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 260 | 6 | 2 | 5 | 1.9 | CCO/N=C(\C)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44281057 | 106451 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 221 | 2 | 1 | 3 | 1.9 | COc1ccc(OC)c2c1CCCC(N)C2 | 10.1021/jm00144a012 | ||
| CHEMBL284486 | 106451 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 221 | 2 | 1 | 3 | 1.9 | COc1ccc(OC)c2c1CCCC(N)C2 | 10.1021/jm00144a012 | ||
| 9816461 | 17491 | 7 | None | 60 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117094 | 17491 | 7 | None | 60 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL544290 | 17491 | 7 | None | 60 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44574938 | 195693 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 214 | 2 | 0 | 3 | 2.2 | COc1cccc(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL507755 | 195693 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 214 | 2 | 0 | 3 | 2.2 | COc1cccc(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44571888 | 190696 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 246 | 3 | 1 | 2 | 2.8 | COCc1cc(F)cc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL481321 | 190696 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 246 | 3 | 1 | 2 | 2.8 | COCc1cc(F)cc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 44343244 | 16724 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 3 | 3 | 4 | 2.0 | Oc1ccc2cccc(NCC3=NCCN3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL114669 | 16724 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 3 | 3 | 4 | 2.0 | Oc1ccc2cccc(NCC3=NCCN3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44343236 | 118141 | 0 | None | 15 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL327005 | 118141 | 0 | None | 15 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9903932 | 66284 | 0 | None | 501 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 284 | 5 | 2 | 6 | 1.9 | CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17151 | 66284 | 0 | None | 501 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 284 | 5 | 2 | 6 | 1.9 | CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44271932 | 71985 | 0 | None | 6 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18256 | 71985 | 0 | None | 6 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493392 | 53929 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154298 | 53929 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9838192 | 118089 | 18 | None | -2 | 3 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| CHEMBL326702 | 118089 | 18 | None | -2 | 3 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| 122184772 | 129299 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 9 | 4 | 6 | 2.3 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(Cl)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601203 | 129299 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 9 | 4 | 6 | 2.3 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(Cl)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 44574132 | 185368 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 280 | 2 | 0 | 4 | 2.8 | Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL467259 | 185368 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 280 | 2 | 0 | 4 | 2.8 | Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44571842 | 186051 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 242 | 4 | 1 | 2 | 3.0 | CCOCc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL473043 | 186051 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 242 | 4 | 1 | 2 | 3.0 | CCOCc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 44571887 | 195195 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 246 | 3 | 1 | 2 | 2.8 | COCc1c(F)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL502078 | 195195 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 246 | 3 | 1 | 2 | 2.8 | COCc1c(F)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 44343243 | 16617 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 3 | 3 | 3 | 2.9 | Oc1ccc2cccc(NCc3c[nH]cn3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL114054 | 16617 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 3 | 3 | 3 | 2.9 | Oc1ccc2cccc(NCc3c[nH]cn3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44343173 | 17793 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 6 | 2 | 3 | 2.5 | CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117482 | 17793 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 272 | 6 | 2 | 3 | 2.5 | CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 9838294 | 66447 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 269 | 5 | 2 | 5 | 2.0 | CCn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17221 | 66447 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 269 | 5 | 2 | 5 | 2.0 | CCn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 11079 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00569-8 | ||
| 3369 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00569-8 | ||
| 4436 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00569-8 | ||
| 5509 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL761 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00569-8 | ||
| DB06711 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00569-8 | ||
| 11079 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00822-8 | ||
| 3369 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00822-8 | ||
| 4436 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00822-8 | ||
| 5509 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL761 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00822-8 | ||
| DB06711 | 9510 | 63 | None | 5 | 7 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 10.1016/s0960-894x(01)00822-8 | ||
| 25154770 | 190431 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 246 | 3 | 1 | 2 | 2.8 | COCc1ccc(F)c2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL480272 | 190431 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 246 | 3 | 1 | 2 | 2.8 | COCc1ccc(F)c2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 22493325 | 126540 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 4 | 2 | 6 | 1.5 | Cc1noc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL347920 | 126540 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 257 | 4 | 2 | 6 | 1.5 | Cc1noc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
| 22493287 | 126871 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 320 | 4 | 2 | 4 | 3.2 | FC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL350906 | 126871 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 320 | 4 | 2 | 4 | 3.2 | FC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11097789 | 109775 | 1 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 109775 | 1 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11140345 | 210950 | 0 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 210950 | 0 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9795167 | 114271 | 0 | None | 6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL318544 | 114271 | 0 | None | 6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44352155 | 123586 | 0 | None | 7 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL337862 | 123586 | 0 | None | 7 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9795167 | 114271 | 0 | None | 6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL318544 | 114271 | 0 | None | 6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329703 | 214941 | 0 | None | 7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 275 | 4 | 2 | 5 | 2.1 | CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL98243 | 214941 | 0 | None | 7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 275 | 4 | 2 | 5 | 2.1 | CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44449304 | 102380 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 277 | 3 | 2 | 3 | 1.9 | CS(=O)(=O)Nc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257800 | 102380 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 277 | 3 | 2 | 3 | 1.9 | CS(=O)(=O)Nc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 12764879 | 185202 | 0 | None | 100 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL465963 | 185202 | 0 | None | 100 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 172745 | 106899 | 7 | None | -234 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| CHEMBL287587 | 106899 | 7 | None | -234 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| 1753 | 9282 | 28 | None | 2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1021/jm00144a012 | ||
| 483 | 9282 | 28 | None | 2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1021/jm00144a012 | ||
| 6082 | 9282 | 28 | None | 2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1021/jm00144a012 | ||
| CHEMBL524 | 9282 | 28 | None | 2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1021/jm00144a012 | ||
| DB00723 | 9282 | 28 | None | 2 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10.1021/jm00144a012 | ||
| 12764880 | 185325 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 198 | 1 | 0 | 2 | 2.6 | c1ccc(C2CCc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466914 | 185325 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 198 | 1 | 0 | 2 | 2.6 | c1ccc(C2CCc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 22493359 | 128466 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 4 | 2 | 6 | 1.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)no1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL358685 | 128466 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 257 | 4 | 2 | 6 | 1.5 | Cc1nc(-c2ccccc2NCC2=NCCN2)no1 | 10.1016/s0960-894x(01)00822-8 | ||
| 12764879 | 185202 | 0 | None | 100 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL465963 | 185202 | 0 | None | 100 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44593580 | 185321 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 3 | 1 | 2 | 2.8 | COCc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466876 | 185321 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 3 | 1 | 2 | 2.8 | COCc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44449303 | 102379 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 2 | 2 | 2 | 3.5 | Clc1ccc2c(c1-c1cn[nH]c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL257799 | 102379 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 2 | 2 | 2 | 3.5 | Clc1ccc2c(c1-c1cn[nH]c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44449303 | 102379 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 2 | 2 | 2 | 3.5 | Clc1ccc2c(c1-c1cn[nH]c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL257799 | 102379 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 284 | 2 | 2 | 2 | 3.5 | Clc1ccc2c(c1-c1cn[nH]c1)CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 9840212 | 68895 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 324 | 5 | 2 | 6 | 1.9 | FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17764 | 68895 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 324 | 5 | 2 | 6 | 1.9 | FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329133 | 214480 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95565 | 214480 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493408 | 67973 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 256 | 4 | 3 | 5 | 1.2 | Cc1n[nH]c(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17657 | 67973 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 256 | 4 | 3 | 5 | 1.2 | Cc1n[nH]c(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| 541604 | 172118 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | ||
| CHEMBL42359 | 172118 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | ||
| 44574079 | 196088 | 0 | None | 8 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL512289 | 196088 | 0 | None | 8 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 11522042 | 210458 | 1 | None | -1 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL67457 | 210458 | 1 | None | -1 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 45381933 | 129317 | 0 | None | -12 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 9 | 4 | 6 | 2.7 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C(F)(F)F)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601308 | 129317 | 0 | None | -12 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 9 | 4 | 6 | 2.7 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C(F)(F)F)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 44574989 | 196009 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 228 | 3 | 0 | 3 | 2.4 | COCc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL511577 | 196009 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 228 | 3 | 0 | 3 | 2.4 | COCc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 12764879 | 185202 | 0 | None | 100 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL465963 | 185202 | 0 | None | 100 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44571840 | 194993 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CS(=O)(=O)Cc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL499180 | 194993 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CS(=O)(=O)Cc1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 45381852 | 129300 | 0 | None | -60 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 418 | 10 | 4 | 6 | 2.2 | CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601204 | 129300 | 0 | None | -60 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 418 | 10 | 4 | 6 | 2.2 | CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 22493254 | 175867 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 260 | 6 | 2 | 5 | 1.9 | CC/C(=N/OC)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL439822 | 175867 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 260 | 6 | 2 | 5 | 1.9 | CC/C(=N/OC)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44571845 | 195913 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 289 | 3 | 1 | 2 | 2.9 | FC1(F)CN(Cc2cccc3c2CCC3c2ncc[nH]2)C1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL510613 | 195913 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 289 | 3 | 1 | 2 | 2.9 | FC1(F)CN(Cc2cccc3c2CCC3c2ncc[nH]2)C1 | 10.1016/j.bmcl.2008.10.066 | ||
| 2803 | 7742 | 58 | None | -6 | 14 | Bovine | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 7742 | 58 | None | -6 | 14 | Bovine | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 7742 | 58 | None | -6 | 14 | Bovine | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 7742 | 58 | None | -6 | 14 | Bovine | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 7742 | 58 | None | -6 | 14 | Bovine | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 2146 | 9874 | 67 | None | 1 | 15 | Bovine | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 485 | 9874 | 67 | None | 1 | 15 | Bovine | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 6041 | 9874 | 67 | None | 1 | 15 | Bovine | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| CHEMBL1215 | 9874 | 67 | None | 1 | 15 | Bovine | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| DB00388 | 9874 | 67 | None | 1 | 15 | Bovine | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | nan | ||
| 44574080 | 195725 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 264 | 2 | 0 | 4 | 2.6 | Cn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL508084 | 195725 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 264 | 2 | 0 | 4 | 2.6 | Cn1cc(-c2ccccc2[C@@H]2Cc3nccn3C2)cn1 | 10.1016/j.bmcl.2009.03.166 | ||
| 9838192 | 118089 | 18 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL326702 | 118089 | 18 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44571938 | 186852 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 300 | 3 | 1 | 3 | 3.0 | Fc1ccn(Cc2c(F)ccc3c2CC[C@H]3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL474796 | 186852 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 300 | 3 | 1 | 3 | 3.0 | Fc1ccn(Cc2c(F)ccc3c2CC[C@H]3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jmedchem.5b00638 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jmedchem.5b00638 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jmedchem.5b00638 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/acs.jmedchem.5b00638 | ||
| 44571890 | 198755 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 265 | 3 | 1 | 4 | 2.1 | c1cc(Cn2ccnn2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL520117 | 198755 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 265 | 3 | 1 | 4 | 2.1 | c1cc(Cn2ccnn2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.10.066 | ||
| 44574076 | 179240 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL448147 | 179240 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574985 | 195186 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 214 | 2 | 0 | 3 | 2.2 | COc1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL501920 | 195186 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 214 | 2 | 0 | 3 | 2.2 | COc1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 123562321 | 147289 | 0 | None | 1 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810110 | 147289 | 0 | None | 1 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 129211 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 2562 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 488 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| DB00706 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 499 | 10849 | 18 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.ejmech.2014.12.045 | ||
| 5685 | 10849 | 18 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.ejmech.2014.12.045 | ||
| 499 | 10849 | 18 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm401895u | ||
| 5685 | 10849 | 18 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm401895u | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm401895u | ||
| 123854385 | 147294 | 0 | None | 72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810145 | 147294 | 0 | None | 72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 4151 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 493 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 5312125 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL24778 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| DB06207 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 4151 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 493 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 5312125 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL24778 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| DB06207 | 10379 | 89 | None | 1 | 10 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 9913616 | 147161 | 6 | None | 8 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808572 | 147161 | 6 | None | 8 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 10160408 | 147218 | 0 | None | 1 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809248 | 147218 | 0 | None | 1 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 86344174 | 147246 | 0 | None | 251 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809490 | 147246 | 0 | None | 251 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 2389 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2018.01.038 | ||
| 5073 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2018.01.038 | ||
| 96 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2018.01.038 | ||
| CHEMBL85 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2018.01.038 | ||
| DB00734 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2018.01.038 | ||
| 2389 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.ejmech.2017.12.099 | ||
| 5073 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.ejmech.2017.12.099 | ||
| 96 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.ejmech.2017.12.099 | ||
| CHEMBL85 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.ejmech.2017.12.099 | ||
| DB00734 | 10104 | 118 | None | -13 | 29 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.ejmech.2017.12.099 | ||
| 145946682 | 174353 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4225239 | 174353 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300633 | 174353 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 145964299 | 170911 | 0 | None | -1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 1 | 6 | 3.8 | CNC(=O)c1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccn1 | 10.1016/j.bmcl.2018.01.038 | ||
| CHEMBL4210030 | 170911 | 0 | None | -1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 426 | 8 | 1 | 6 | 3.8 | CNC(=O)c1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccn1 | 10.1016/j.bmcl.2018.01.038 | ||
| 76071739 | 149575 | 0 | None | -25 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3892879 | 149575 | 0 | None | -25 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 145946986 | 174384 | 0 | None | -4 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4227241 | 174384 | 0 | None | -4 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300995 | 174384 | 0 | None | -4 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| 145990794 | 173579 | 0 | None | -19 | 6 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 437 | 6 | 0 | 5 | 3.8 | O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 | 10.1016/j.ejmech.2017.12.099 | ||
| CHEMBL4284346 | 173579 | 0 | None | -19 | 6 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 437 | 6 | 0 | 5 | 3.8 | O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 | 10.1016/j.ejmech.2017.12.099 | ||
| 131978695 | 157640 | 0 | None | 5 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 440 | 5 | 1 | 4 | 5.4 | COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3957222 | 157640 | 0 | None | 5 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 440 | 5 | 1 | 4 | 5.4 | COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| 134138882 | 154506 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 318 | 0 | 1 | 3 | 3.6 | c1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2C1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3932187 | 154506 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 318 | 0 | 1 | 3 | 3.6 | c1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2C1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 44575544 | 180777 | 0 | None | -3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 794 | 5 | 5 | 13 | 3.0 | CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C | 10.1021/np3000359 | ||
| CHEMBL454246 | 180777 | 0 | None | -3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 794 | 5 | 5 | 13 | 3.0 | CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C | 10.1021/np3000359 | ||
| 127044893 | 147186 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808878 | 147186 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 134157118 | 160981 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.6 | Cn1c2c(c3ccccc31)CC1c3cc4c(cc3CCN1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3985901 | 160981 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.6 | Cn1c2c(c3ccccc31)CC1c3cc4c(cc3CCN1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 123141715 | 147313 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810401 | 147313 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 44347716 | 23080 | 0 | None | -3 | 3 | Rat | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
| CHEMBL122621 | 23080 | 0 | None | -3 | 3 | Rat | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
| 145966333 | 170839 | 0 | None | -134 | 6 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 8 | 1 | 6 | 3.6 | CNC(=O)c1cc(OCCCCN2CCN(c3cccc4sccc34)CC2)ccn1 | 10.1016/j.bmcl.2018.01.038 | ||
| CHEMBL4209188 | 170839 | 0 | None | -134 | 6 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 8 | 1 | 6 | 3.6 | CNC(=O)c1cc(OCCCCN2CCN(c3cccc4sccc34)CC2)ccn1 | 10.1016/j.bmcl.2018.01.038 | ||
| 123986550 | 147176 | 0 | None | 223 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808717 | 147176 | 0 | None | 223 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 134142282 | 152468 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3916182 | 152468 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 242 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2017.12.099 | ||
| 34 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2017.12.099 | ||
| 60795 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2017.12.099 | ||
| CHEMBL1112 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2017.12.099 | ||
| DB01238 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.ejmech.2017.12.099 | ||
| 242 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2018.01.038 | ||
| 34 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2018.01.038 | ||
| 60795 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2018.01.038 | ||
| CHEMBL1112 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2018.01.038 | ||
| DB01238 | 7258 | 124 | None | -120 | 32 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2018.01.038 | ||
| 145983928 | 173191 | 0 | None | -48 | 6 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 0 | 5 | 3.6 | O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 | 10.1016/j.ejmech.2017.12.099 | ||
| CHEMBL4277101 | 173191 | 0 | None | -48 | 6 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 0 | 5 | 3.6 | O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 | 10.1016/j.ejmech.2017.12.099 | ||
| 10820251 | 103397 | 0 | None | -208 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203233 | 103397 | 0 | None | -208 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL263434 | 103397 | 0 | None | -208 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 10606263 | 148329 | 0 | None | -81 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL384790 | 148329 | 0 | None | -81 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 123472560 | 147272 | 0 | None | 616 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809840 | 147272 | 0 | None | 616 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 129211 | 10521 | 78 | None | -1 | 14 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| 2562 | 10521 | 78 | None | -1 | 14 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| 488 | 10521 | 78 | None | -1 | 14 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 14 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| DB00706 | 10521 | 78 | None | -1 | 14 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| 123415538 | 147155 | 0 | None | 8 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808511 | 147155 | 0 | None | 8 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| 123667086 | 147177 | 0 | None | -8 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808726 | 147177 | 0 | None | -8 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 127044912 | 147206 | 0 | None | -26 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809093 | 147206 | 0 | None | -26 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| 117839022 | 147309 | 0 | None | 407 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810346 | 147309 | 0 | None | 407 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 124018870 | 147189 | 0 | None | -7 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808896 | 147189 | 0 | None | -7 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123368349 | 147211 | 0 | None | 95 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809175 | 147211 | 0 | None | 95 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123387804 | 147199 | 0 | None | -52 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808999 | 147199 | 0 | None | -52 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 156767236 | 189736 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 449 | 11 | 1 | 5 | 4.7 | COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4792905 | 189736 | 0 | None | 9 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 449 | 11 | 1 | 5 | 4.7 | COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| 134157566 | 160805 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1cccc2[nH]c3c(c12)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3984249 | 160805 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1cccc2[nH]c3c(c12)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 134137522 | 149876 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2C1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3895460 | 149876 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2C1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 123204312 | 147250 | 0 | None | 74 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809532 | 147250 | 0 | None | 74 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 134150827 | 158946 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 4.6 | CCCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3968227 | 158946 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 392 | 5 | 1 | 4 | 4.6 | CCCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| 134155537 | 157764 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 406 | 6 | 1 | 4 | 5.0 | CCCCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3958316 | 157764 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 406 | 6 | 1 | 4 | 5.0 | CCCCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| 123322716 | 147301 | 0 | None | 17 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810198 | 147301 | 0 | None | 17 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 134149598 | 155256 | 0 | None | 33 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3938121 | 155256 | 0 | None | 33 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 123801568 | 147267 | 0 | None | 100 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809781 | 147267 | 0 | None | 100 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
| 134150128 | 158879 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 424 | 3 | 1 | 4 | 5.1 | c1ccc(COc2ccc3[nH]c4c(c3c2)CC2c3cc5c(cc3CCN2C4)OCO5)cc1 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3967696 | 158879 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 424 | 3 | 1 | 4 | 5.1 | c1ccc(COc2ccc3[nH]c4c(c3c2)CC2c3cc5c(cc3CCN2C4)OCO5)cc1 | 10.1021/acs.jmedchem.6b01217 | ||
| 9891967 | 114302 | 34 | None | 4 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3187195 | 114302 | 34 | None | 4 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123644751 | 147281 | 0 | None | 125 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810005 | 147281 | 0 | None | 125 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123475619 | 147269 | 0 | None | 43 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809794 | 147269 | 0 | None | 43 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 76071859 | 157132 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3953156 | 157132 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 156767234 | 189375 | 0 | None | 10 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 11 | 1 | 4 | 5.7 | O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4788144 | 189375 | 0 | None | 10 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 11 | 1 | 4 | 5.7 | O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
| 123393714 | 147252 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809543 | 147252 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
| 145993493 | 174136 | 0 | None | -47 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 0 | 5 | 4.5 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 | 10.1016/j.ejmech.2017.12.099 | ||
| CHEMBL4294617 | 174136 | 0 | None | -47 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 0 | 5 | 4.5 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 | 10.1016/j.ejmech.2017.12.099 | ||
| 145993117 | 173700 | 0 | None | -309 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CCC1(C)CC(=O)N(CCCCN2CCN(c3cccc4sccc34)CC2)C(=O)C1 | 10.1016/j.ejmech.2017.12.099 | ||
| CHEMBL4286717 | 173700 | 0 | None | -309 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CCC1(C)CC(=O)N(CCCCN2CCN(c3cccc4sccc34)CC2)C(=O)C1 | 10.1016/j.ejmech.2017.12.099 | ||
| 123311113 | 147299 | 0 | None | 91 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810187 | 147299 | 0 | None | 91 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 10582125 | 88609 | 0 | None | -47 | 3 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL216443 | 88609 | 0 | None | -47 | 3 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 123688273 | 147259 | 0 | None | 36 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809630 | 147259 | 0 | None | 36 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 127044911 | 147226 | 0 | None | -10 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809319 | 147226 | 0 | None | -10 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123183757 | 147255 | 0 | None | 10 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809600 | 147255 | 0 | None | 10 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044894 | 147145 | 0 | None | 3 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808408 | 147145 | 0 | None | 3 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 134147190 | 156577 | 0 | None | 3 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.3 | Oc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3948551 | 156577 | 0 | None | 3 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.3 | Oc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 10034370 | 163771 | 0 | None | -10 | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203232 | 163771 | 0 | None | -10 | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL407315 | 163771 | 0 | None | -10 | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 127043026 | 147225 | 0 | None | 8 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809314 | 147225 | 0 | None | 8 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 16638286 | 156379 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 323 | 0 | 0 | 5 | 2.8 | c1c2c(cc3c1OCO3)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3946997 | 156379 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 323 | 0 | 0 | 5 | 2.8 | c1c2c(cc3c1OCO3)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 10034371 | 172759 | 0 | None | -1479 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203235 | 172759 | 0 | None | -1479 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL425267 | 172759 | 0 | None | -1479 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 10630100 | 103376 | 0 | None | -186 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL263289 | 103376 | 0 | None | -186 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 145947950 | 174512 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4224703 | 174512 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4302771 | 174512 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| 21171 | 193755 | 33 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 339 | 2 | 0 | 5 | 3.1 | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL490533 | 193755 | 33 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 339 | 2 | 0 | 5 | 3.1 | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 21823379 | 151504 | 2 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 304 | 1 | 1 | 2 | 3.8 | COc1ccc2c(c1)CCN1Cc3[nH]c4ccccc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3908813 | 151504 | 2 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 304 | 1 | 1 | 2 | 3.8 | COc1ccc2c(c1)CCN1Cc3[nH]c4ccccc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| 4418 | 40996 | 85 | None | -4 | 18 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL142635 | 40996 | 85 | None | -4 | 18 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| DB12092 | 40996 | 85 | None | -4 | 18 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| 145947047 | 174414 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4227513 | 174414 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4301557 | 174414 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 123576734 | 147202 | 0 | None | 15 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809032 | 147202 | 0 | None | 15 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 76071738 | 155108 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 318 | 0 | 1 | 3 | 3.6 | c1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2[C@@H]1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3937032 | 155108 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 318 | 0 | 1 | 3 | 3.6 | c1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2[C@@H]1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 145946630 | 174352 | 0 | None | 12 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4224794 | 174352 | 0 | None | 12 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300618 | 174352 | 0 | None | 12 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 123752717 | 147248 | 0 | None | 26 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809500 | 147248 | 0 | None | 26 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 134145079 | 157001 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2C1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3952204 | 157001 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2C1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 127044906 | 147196 | 0 | None | 7 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808981 | 147196 | 0 | None | 7 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123183788 | 147304 | 0 | None | 7 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810220 | 147304 | 0 | None | 7 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123378354 | 147165 | 0 | None | 6 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808595 | 147165 | 0 | None | 6 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| 145963961 | 171182 | 0 | None | -32 | 6 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 8 | 1 | 7 | 3.0 | CNC(=O)c1cc(OCCCCN2CCN(c3nsc4ccccc34)CC2)ccn1 | 10.1016/j.bmcl.2018.01.038 | ||
| CHEMBL4213342 | 171182 | 0 | None | -32 | 6 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 8 | 1 | 7 | 3.0 | CNC(=O)c1cc(OCCCCN2CCN(c3nsc4ccccc34)CC2)ccn1 | 10.1016/j.bmcl.2018.01.038 | ||
| 134157568 | 161238 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 3.1 | COc1cc2cc[n+]3c(c2cc1OC)Cc1ccc(OC)c(OC)c1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3984336 | 161238 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 3.1 | COc1cc2cc[n+]3c(c2cc1OC)Cc1ccc(OC)c(OC)c1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3990197 | 161238 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 3.1 | COc1cc2cc[n+]3c(c2cc1OC)Cc1ccc(OC)c(OC)c1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| 127044916 | 147260 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809676 | 147260 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123437117 | 147147 | 0 | None | 23 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808417 | 147147 | 0 | None | 23 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 127045050 | 147171 | 0 | None | -5 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808632 | 147171 | 0 | None | -5 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| 118167692 | 170988 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 7 | 1 | 7 | 3.0 | Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1 | 10.1021/acs.jmedchem.8b00633 | ||
| CHEMBL4210892 | 170988 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 7 | 1 | 7 | 3.0 | Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1 | 10.1021/acs.jmedchem.8b00633 | ||
| 134134752 | 150987 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 318 | 1 | 1 | 2 | 4.4 | COc1ccc2c(c1)CCN1C(C)c3[nH]c4ccccc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3904395 | 150987 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 318 | 1 | 1 | 2 | 4.4 | COc1ccc2c(c1)CCN1C(C)c3[nH]c4ccccc4c3CC21 | 10.1021/acs.jmedchem.6b01217 | ||
| 10813278 | 113717 | 0 | None | - | 0 | Rabbit | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 446 | 8 | 1 | 6 | 3.5 | Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1 | 10.1021/jm970166j | ||
| CHEMBL314880 | 113717 | 0 | None | - | 0 | Rabbit | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 446 | 8 | 1 | 6 | 3.5 | Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1 | 10.1021/jm970166j | ||
| 10697270 | 112955 | 0 | None | - | 0 | Rabbit | 10.0 | pKd | = | 10 | Functional | ChEMBL | 519 | 9 | 2 | 8 | 3.2 | CNC(=O)c1cnc2c(c(C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL313775 | 112955 | 0 | None | - | 0 | Rabbit | 10.0 | pKd | = | 10 | Functional | ChEMBL | 519 | 9 | 2 | 8 | 3.2 | CNC(=O)c1cnc2c(c(C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10552132 | 119565 | 0 | None | - | 0 | Rabbit | 10.0 | pKd | = | 10 | Functional | ChEMBL | 465 | 9 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL330579 | 119565 | 0 | None | - | 0 | Rabbit | 10.0 | pKd | = | 10 | Functional | ChEMBL | 465 | 9 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 13305910 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182155 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215421 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3741808 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 13305910 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL1182155 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL215421 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL3741808 | 18608 | 1 | None | - | 0 | Rat | 10.0 | pKd | = | 10.0 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10506159 | 118177 | 0 | None | - | 0 | Rabbit | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 520 | 8 | 1 | 9 | 3.4 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 | 10.1021/jm970166j | ||
| CHEMBL327231 | 118177 | 0 | None | - | 0 | Rabbit | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 520 | 8 | 1 | 9 | 3.4 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 | 10.1021/jm970166j | ||
| 10693231 | 209541 | 0 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL62033 | 209541 | 0 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 129211 | 10521 | 78 | None | - | 14 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| 2562 | 10521 | 78 | None | - | 14 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| 488 | 10521 | 78 | None | - | 14 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| CHEMBL836 | 10521 | 78 | None | - | 14 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| DB00706 | 10521 | 78 | None | - | 14 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| 10526964 | 213744 | 0 | None | - | 0 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91278 | 213744 | 0 | None | - | 0 | Rabbit | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
| 10764021 | 213770 | 0 | None | - | 0 | Rabbit | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 409 | 9 | 1 | 5 | 3.4 | CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91400 | 213770 | 0 | None | - | 0 | Rabbit | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 409 | 9 | 1 | 5 | 3.4 | CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 24897950 | 63126 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630940 | 63126 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 71462043 | 91343 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153555 | 91343 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220895 | 91343 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 129211 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 2562 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 488 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| DB00706 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 129211 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 2562 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 488 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| DB00706 | 10521 | 78 | None | -1 | 14 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 10526831 | 118166 | 0 | None | - | 0 | Rabbit | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 434 | 8 | 1 | 7 | 3.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 | 10.1021/jm970166j | ||
| CHEMBL327168 | 118166 | 0 | None | - | 0 | Rabbit | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 434 | 8 | 1 | 7 | 3.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 | 10.1021/jm970166j | ||
| 13305910 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182155 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215421 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3741808 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 13305910 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL1182155 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL215421 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL3741808 | 18608 | 1 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 129211 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 2562 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 488 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| CHEMBL836 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| DB00706 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 129211 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 2562 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 488 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| CHEMBL836 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| DB00706 | 10521 | 78 | None | - | 14 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm000541z | ||
| 44289437 | 176642 | 0 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| CHEMBL44403 | 176642 | 0 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| 10789770 | 107662 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL293695 | 107662 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10645210 | 213258 | 0 | None | - | 0 | Rabbit | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 409 | 8 | 1 | 5 | 3.5 | CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88211 | 213258 | 0 | None | - | 0 | Rabbit | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 409 | 8 | 1 | 5 | 3.5 | CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 44289437 | 176642 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| CHEMBL44403 | 176642 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| 10787790 | 112767 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 411 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL313157 | 112767 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 411 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10744240 | 113811 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 508 | 9 | 2 | 7 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL315496 | 113811 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 508 | 9 | 2 | 7 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc23)CC1 | 10.1021/jm970166j | ||
| 10763212 | 174975 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 394 | 9 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL433348 | 174975 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 394 | 9 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1 | 10.1021/jm970166j | ||
| 9893282 | 213248 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 533 | 9 | 1 | 8 | 3.5 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| CHEMBL88160 | 213248 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 533 | 9 | 1 | 8 | 3.5 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| 44323795 | 213387 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL89030 | 213387 | 0 | None | - | 0 | Rabbit | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 9824384 | 125565 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL342062 | 125565 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10478121 | 177581 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL445325 | 177581 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 10743446 | 113848 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2nc(C)n3C)CC1 | 10.1021/jm970166j | ||
| CHEMBL315785 | 113848 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2nc(C)n3C)CC1 | 10.1021/jm970166j | ||
| 10549680 | 119161 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 413 | 8 | 1 | 6 | 3.1 | CSc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL329601 | 119161 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 413 | 8 | 1 | 6 | 3.1 | CSc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10647512 | 213804 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 1.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3ccn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| CHEMBL91547 | 213804 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 1.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3ccn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| 10621397 | 213871 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 407 | 8 | 1 | 5 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91951 | 213871 | 0 | None | - | 0 | Rabbit | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 407 | 8 | 1 | 5 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm970166j | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 10574245 | 118299 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 422 | 8 | 1 | 7 | 2.3 | COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL327872 | 118299 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 422 | 8 | 1 | 7 | 2.3 | COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10577066 | 119189 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 490 | 8 | 2 | 6 | 2.3 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3c(Cl)cn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| CHEMBL329773 | 119189 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 490 | 8 | 2 | 6 | 2.3 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3c(Cl)cn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| 10530686 | 213682 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 549 | 9 | 1 | 6 | 5.2 | CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL90878 | 213682 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 549 | 9 | 1 | 6 | 5.2 | CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 11795906 | 213845 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 411 | 8 | 1 | 6 | 2.7 | COc1cc(C)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91785 | 213845 | 0 | None | - | 0 | Rabbit | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 411 | 8 | 1 | 6 | 2.7 | COc1cc(C)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 14423371 | 104230 | 1 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL27013 | 104230 | 1 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 71462043 | 91343 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153555 | 91343 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220895 | 91343 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 14423371 | 104230 | 1 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL27013 | 104230 | 1 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 10456471 | 107309 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL291303 | 107309 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 10572854 | 119343 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL330060 | 119343 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10786203 | 214048 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 2.1 | CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm970166j | ||
| CHEMBL93054 | 214048 | 0 | None | - | 0 | Rabbit | 9.0 | pKd | = | 9 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 2.1 | CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm970166j | ||
| 11430491 | 69775 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178673 | 69775 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 10527469 | 163044 | 3 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 163044 | 3 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 4209 | 9937 | 75 | None | -1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 4893 | 9937 | 75 | None | -1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 503 | 9937 | 75 | None | -1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 5385 | 9937 | 75 | None | -1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| DB00457 | 9937 | 75 | None | -1 | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 10478121 | 177581 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL445325 | 177581 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 16121006 | 18613 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182182 | 18613 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL217469 | 18613 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 11742834 | 172549 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| CHEMBL42472 | 172549 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| 10527469 | 163044 | 3 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 163044 | 3 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 10834793 | 91354 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153557 | 91354 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220925 | 91354 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 10505222 | 213444 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C#N)cccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL89397 | 213444 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C#N)cccc23)CC1 | 10.1021/jm970166j | ||
| 10575254 | 213662 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 443 | 8 | 1 | 5 | 4.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90746 | 213662 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 443 | 8 | 1 | 5 | 4.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 10814587 | 213671 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 480 | 8 | 1 | 7 | 3.4 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL90810 | 213671 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 480 | 8 | 1 | 7 | 3.4 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1 | 10.1021/jm970166j | ||
| 10646065 | 213681 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL90874 | 213681 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 10624682 | 213817 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2c(C)nn3C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91605 | 213817 | 0 | None | - | 0 | Rabbit | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2c(C)nn3C)CC1 | 10.1021/jm970166j | ||
| 10789770 | 107662 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL293695 | 107662 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 11742834 | 172549 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| CHEMBL42472 | 172549 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| 10693231 | 209541 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL62033 | 209541 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 9865577 | 119086 | 2 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL329160 | 119086 | 2 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10621790 | 170595 | 0 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 415 | 8 | 1 | 6 | 2.6 | COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL420620 | 170595 | 0 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 415 | 8 | 1 | 6 | 2.6 | COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10839699 | 213530 | 0 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 520 | 9 | 1 | 8 | 3.8 | Cc1noc2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| CHEMBL90022 | 213530 | 0 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 520 | 9 | 1 | 8 | 3.8 | Cc1noc2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| 10552164 | 213679 | 0 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL90869 | 213679 | 0 | None | - | 0 | Rabbit | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10549596 | 91380 | 1 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153553 | 91380 | 1 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221147 | 91380 | 1 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10501886 | 118178 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1ccccc1N1CCN(CCCNc2ncc(O)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL327232 | 118178 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1ccccc1N1CCN(CCCNc2ncc(O)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10693071 | 213253 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 413 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88181 | 213253 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 413 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10833725 | 213290 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88435 | 213290 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10500734 | 213358 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 392 | 7 | 1 | 6 | 2.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C#N)CC1 | 10.1021/jm970166j | ||
| CHEMBL88856 | 213358 | 0 | None | - | 0 | Rabbit | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 392 | 7 | 1 | 6 | 2.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C#N)CC1 | 10.1021/jm970166j | ||
| 44324012 | 214028 | 0 | None | - | 0 | Rabbit | 8.0 | pKd | = | 8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
| CHEMBL92901 | 214028 | 0 | None | - | 0 | Rabbit | 8.0 | pKd | = | 8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
| 11994673 | 19088 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1185036 | 19088 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL385371 | 19088 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 10745791 | 43283 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144776 | 43283 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10394346 | 23735 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL125365 | 23735 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 52945071 | 24415 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258344 | 24415 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 11133868 | 162121 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL40325 | 162121 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| 3584 | 10549 | 64 | None | -25 | 11 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 5401 | 10549 | 64 | None | -25 | 11 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 7302 | 10549 | 64 | None | -25 | 11 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL611 | 10549 | 64 | None | -25 | 11 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB01162 | 10549 | 64 | None | -25 | 11 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10574889 | 113323 | 0 | None | - | 0 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 435 | 7 | 1 | 5 | 3.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL314114 | 113323 | 0 | None | - | 0 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 435 | 7 | 1 | 5 | 3.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10787895 | 118197 | 0 | None | - | 0 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1cc(O)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL327351 | 118197 | 0 | None | - | 0 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1cc(O)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10524875 | 214151 | 0 | None | - | 0 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL93736 | 214151 | 0 | None | - | 0 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 52942664 | 24416 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258345 | 24416 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 52942591 | 24384 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258228 | 24384 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 44428846 | 98964 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242508 | 98964 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
| 145971621 | 171384 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4215889 | 171384 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10506915 | 47013 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL148061 | 47013 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 69782867 | 168362 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129291 | 168362 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 25022505 | 195070 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL500266 | 195070 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 44586483 | 179246 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL448198 | 179246 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 44586429 | 191076 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL484102 | 191076 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 6603808 | 134300 | 3 | None | - | 2 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214986 | 134300 | 3 | None | - | 2 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL36622 | 134300 | 3 | None | - | 2 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3740374 | 134300 | 3 | None | - | 2 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 9891213 | 168281 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128084 | 168281 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 50905589 | 63128 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630942 | 63128 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 10530133 | 43790 | 1 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL145181 | 43790 | 1 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| 71454865 | 91378 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153551 | 91378 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221145 | 91378 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 44289261 | 171691 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| CHEMBL42231 | 171691 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| 44277158 | 108422 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL29907 | 108422 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 11430126 | 67337 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL175934 | 67337 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 6603808 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214986 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL36622 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3740374 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 3584 | 10549 | 64 | None | - | 11 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| 5401 | 10549 | 64 | None | - | 11 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| 7302 | 10549 | 64 | None | - | 11 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| CHEMBL611 | 10549 | 64 | None | - | 11 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| DB01162 | 10549 | 64 | None | - | 11 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| 44323554 | 213238 | 0 | None | - | 0 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 446 | 8 | 1 | 7 | 2.9 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2-c2cncnc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL88109 | 213238 | 0 | None | - | 0 | Rabbit | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 446 | 8 | 1 | 7 | 2.9 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2-c2cncnc2)CC1 | 10.1021/jm970166j | ||
| 10651334 | 36524 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
| CHEMBL138681 | 36524 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
| 10673882 | 45499 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL146601 | 45499 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 45268939 | 203439 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL564481 | 203439 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10786159 | 213419 | 1 | None | - | 0 | Rabbit | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 382 | 7 | 1 | 6 | 2.1 | Cc1cnccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL89222 | 213419 | 1 | None | - | 0 | Rabbit | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 382 | 7 | 1 | 6 | 2.1 | Cc1cnccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 3157 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 7170 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 954 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| DB00590 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 3157 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 7170 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 954 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| DB00590 | 8252 | 71 | None | -2 | 22 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 11039289 | 123618 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL338029 | 123618 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 4209 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4893 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 503 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 5385 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| DB00457 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 10555166 | 213497 | 0 | None | - | 0 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 575 | 9 | 1 | 8 | 4.5 | CN(C)C(=O)c1cnc2c(c(C(C)(C)C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL89822 | 213497 | 0 | None | - | 0 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 575 | 9 | 1 | 8 | 4.5 | CN(C)C(=O)c1cnc2c(c(C(C)(C)C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 4209 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 4893 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 503 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 5385 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| DB00457 | 9937 | 75 | None | -1 | 17 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 10549596 | 91380 | 1 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153553 | 91380 | 1 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221147 | 91380 | 1 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10456471 | 107309 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL291303 | 107309 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 11133868 | 162121 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL40325 | 162121 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 115 | 7131 | 71 | None | 14 | 5 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 2092 | 7131 | 71 | None | 14 | 5 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 7109 | 7131 | 71 | None | 14 | 5 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| CHEMBL709 | 7131 | 71 | None | 14 | 5 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| DB00346 | 7131 | 71 | None | 14 | 5 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 11751173 | 70200 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL179743 | 70200 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 44586479 | 195406 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL503007 | 195406 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 115 | 7131 | 71 | None | - | 5 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 2092 | 7131 | 71 | None | - | 5 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 7109 | 7131 | 71 | None | - | 5 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| CHEMBL709 | 7131 | 71 | None | - | 5 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| DB00346 | 7131 | 71 | None | - | 5 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm000541z | ||
| 10620831 | 213666 | 0 | None | - | 0 | Rabbit | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90778 | 213666 | 0 | None | - | 0 | Rabbit | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1 | 10.1021/jm970166j | ||
| 44586430 | 193809 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL490865 | 193809 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 3157 | 8252 | 71 | None | -38 | 22 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 7170 | 8252 | 71 | None | -38 | 22 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 954 | 8252 | 71 | None | -38 | 22 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| CHEMBL707 | 8252 | 71 | None | -38 | 22 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| DB00590 | 8252 | 71 | None | -38 | 22 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm000541z | ||
| 135 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00370a011 | ||
| 1796 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00370a011 | ||
| 4184 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00370a011 | ||
| CHEMBL6437 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00370a011 | ||
| DB06148 | 9310 | 43 | None | -72 | 33 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00370a011 | ||
| 11273296 | 177075 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL444648 | 177075 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 10834793 | 91354 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153557 | 91354 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220925 | 91354 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 44289261 | 171691 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| CHEMBL42231 | 171691 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| 10344976 | 107992 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL29591 | 107992 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10363912 | 13310 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1082862 | 13310 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL286003 | 13310 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 10344976 | 107992 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL29591 | 107992 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 10671310 | 213704 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 451 | 8 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL91036 | 213704 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 451 | 8 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 21473427 | 213756 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91326 | 213756 | 0 | None | - | 0 | Rabbit | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 148842 | 10718 | 27 | None | 12 | 2 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
| 496 | 10718 | 27 | None | 12 | 2 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
| CHEMBL278865 | 10718 | 27 | None | 12 | 2 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
| 489 | 6933 | 28 | None | - | 1 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm970166j | ||
| 5640 | 6933 | 28 | None | - | 1 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm970166j | ||
| CHEMBL420060 | 6933 | 28 | None | - | 1 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm970166j | ||
| 44323803 | 213326 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 398 | 8 | 1 | 7 | 1.8 | COc1ccccc1N1CCN(CCCNc2cncnc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88633 | 213326 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 398 | 8 | 1 | 7 | 1.8 | COc1ccccc1N1CCN(CCCNc2cncnc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10596968 | 213757 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 397 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91338 | 213757 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 397 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10815708 | 213877 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 515 | 9 | 1 | 6 | 4.5 | CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL91989 | 213877 | 0 | None | - | 0 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 515 | 9 | 1 | 6 | 4.5 | CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 50905588 | 63127 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630941 | 63127 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 145971816 | 171311 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4214992 | 171311 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 44428851 | 99093 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242934 | 99093 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 145962817 | 168298 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128311 | 168298 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10788615 | 213795 | 0 | None | - | 0 | Rabbit | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 427 | 9 | 1 | 7 | 2.4 | COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1 | 10.1021/jm970166j | ||
| CHEMBL91480 | 213795 | 0 | None | - | 0 | Rabbit | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 427 | 9 | 1 | 7 | 2.4 | COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1 | 10.1021/jm970166j | ||
| 10598692 | 213923 | 0 | None | - | 0 | Rabbit | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 429 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL92259 | 213923 | 0 | None | - | 0 | Rabbit | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 429 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 4418 | 40996 | 85 | None | - | 18 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL142635 | 40996 | 85 | None | - | 18 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB12092 | 40996 | 85 | None | - | 18 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 11133288 | 172812 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL42558 | 172812 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| 16721032 | 98963 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242507 | 98963 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 10348924 | 24717 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL125989 | 24717 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 44417706 | 18607 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182152 | 18607 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL215188 | 18607 | 0 | None | - | 0 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| 3584 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 5401 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 7302 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| CHEMBL611 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| DB01162 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 3584 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 5401 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 7302 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| CHEMBL611 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| DB01162 | 10549 | 64 | None | -69 | 11 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 10072518 | 42679 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144224 | 42679 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10553385 | 125943 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL342997 | 125943 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 145964162 | 171115 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4212528 | 171115 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10621592 | 91346 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153559 | 91346 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220898 | 91346 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 9838192 | 118089 | 18 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| CHEMBL326702 | 118089 | 18 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| 44289248 | 175755 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL43905 | 175755 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 10767688 | 43159 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144677 | 43159 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 11994673 | 19088 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1185036 | 19088 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL385371 | 19088 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 10430193 | 168377 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129461 | 168377 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10719536 | 127921 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL357669 | 127921 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 145978803 | 170617 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4206435 | 170617 | 0 | None | - | 0 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 4209 | 9937 | 75 | None | - | 17 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 4893 | 9937 | 75 | None | - | 17 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 503 | 9937 | 75 | None | - | 17 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 5385 | 9937 | 75 | None | - | 17 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| CHEMBL2 | 9937 | 75 | None | - | 17 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| DB00457 | 9937 | 75 | None | - | 17 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 10643699 | 213330 | 0 | None | - | 0 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 7 | 2 | 6 | 2.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1 | 10.1021/jm970166j | ||
| CHEMBL88664 | 213330 | 0 | None | - | 0 | Rabbit | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 383 | 7 | 2 | 6 | 2.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1 | 10.1021/jm970166j | ||
| 44289262 | 108151 | 2 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL297106 | 108151 | 2 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| 44289262 | 108151 | 2 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL297106 | 108151 | 2 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| 71454865 | 91378 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153551 | 91378 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221145 | 91378 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 3894573 | 10166 | 6 | None | - | 0 | Rabbit | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm970166j | ||
| 495 | 10166 | 6 | None | - | 0 | Rabbit | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm970166j | ||
| CHEMBL88272 | 10166 | 6 | None | - | 0 | Rabbit | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm970166j | ||
| 10621592 | 91346 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153559 | 91346 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220898 | 91346 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10097792 | 125367 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL341665 | 125367 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 44417713 | 19194 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1185884 | 19194 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL439346 | 19194 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 10602797 | 43274 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144768 | 43274 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 11133288 | 172812 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL42558 | 172812 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| 11994665 | 18606 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182151 | 18606 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215151 | 18606 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 44289248 | 175755 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL43905 | 175755 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 10974101 | 123731 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL338608 | 123731 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 2142 | 9870 | 58 | None | - | 18 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 4920903 | 9870 | 58 | None | - | 18 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 502 | 9870 | 58 | None | - | 18 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 5775 | 9870 | 58 | None | - | 18 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| CHEMBL597 | 9870 | 58 | None | - | 18 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| DB00692 | 9870 | 58 | None | - | 18 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 10766280 | 118416 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 457 | 9 | 1 | 5 | 4.0 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2Cc2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL328545 | 118416 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 457 | 9 | 1 | 5 | 4.0 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2Cc2ccccc2)CC1 | 10.1021/jm970166j | ||
| 10642742 | 213574 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90287 | 213574 | 0 | None | - | 0 | Rabbit | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 10814913 | 42692 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144238 | 42692 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 145975903 | 170600 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4206260 | 170600 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 11169638 | 23966 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1256344 | 23966 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 11454386 | 69881 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178923 | 69881 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 10552704 | 170228 | 0 | None | - | 0 | Rabbit | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 479 | 8 | 1 | 6 | 4.0 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL419867 | 170228 | 0 | None | - | 0 | Rabbit | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 479 | 8 | 1 | 6 | 4.0 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1 | 10.1021/jm970166j | ||
| 10767948 | 42723 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144263 | 42723 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 11994915 | 18604 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182145 | 18604 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214762 | 18604 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 10743978 | 128081 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL358060 | 128081 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 69781970 | 168130 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4125981 | 168130 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10815228 | 44042 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL145384 | 44042 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10531768 | 42426 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
| CHEMBL144000 | 42426 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
| 52941981 | 24288 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1257883 | 24288 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 3584 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 5401 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 7302 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL611 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB01162 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 3584 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 5401 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 7302 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| CHEMBL611 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| DB01162 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 3584 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 5401 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 7302 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| CHEMBL611 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| DB01162 | 10549 | 64 | None | -25 | 11 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm000541z | ||
| 11994797 | 19086 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL1185017 | 19086 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL383938 | 19086 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| 10553687 | 45655 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL146724 | 45655 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 49800167 | 24453 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258457 | 24453 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 9827677 | 175201 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43491 | 175201 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288945 | 175694 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43860 | 175694 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 499 | 10849 | 18 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 5685 | 10849 | 18 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 44289100 | 106925 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL287791 | 106925 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 10436842 | 107032 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288772 | 107032 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44288874 | 107872 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295001 | 107872 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44289107 | 172959 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL42640 | 172959 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288769 | 107925 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295395 | 107925 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44288847 | 172088 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL42335 | 172088 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 535 | 7 | 2 | 5 | 3.9 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288917 | 107031 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288768 | 107031 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44289035 | 107290 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL291166 | 107290 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 53327992 | 70179 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796050 | 70179 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 71451044 | 87249 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146807 | 87249 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 25071930 | 25852 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289039 | 25852 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072242 | 26110 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290706 | 26110 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25022356 | 26111 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290707 | 26111 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 71452871 | 87243 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146801 | 87243 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71458203 | 87247 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146805 | 87247 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 25071310 | 25886 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289267 | 25886 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072876 | 25984 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289936 | 25984 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| 44288843 | 175457 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 531 | 7 | 1 | 5 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43651 | 175457 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 531 | 7 | 1 | 5 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 71461781 | 87244 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 409 | 7 | 0 | 4 | 4.9 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146802 | 87244 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 409 | 7 | 0 | 4 | 4.9 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71458205 | 87253 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146811 | 87253 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 25072875 | 25939 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289609 | 25939 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 71456359 | 87245 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 411 | 7 | 0 | 5 | 3.8 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146803 | 87245 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 411 | 7 | 0 | 5 | 3.8 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71449250 | 87246 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146804 | 87246 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71458204 | 87251 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146809 | 87251 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 25071621 | 25872 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289154 | 25872 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073191 | 25923 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289503 | 25923 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25071931 | 25973 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289820 | 25973 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 53327748 | 70162 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796033 | 70162 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 44288864 | 170241 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 507 | 7 | 1 | 5 | 3.6 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL41996 | 170241 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 507 | 7 | 1 | 5 | 3.6 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44289103 | 162403 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL40464 | 162403 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44288858 | 175934 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 517 | 7 | 2 | 5 | 3.8 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL44042 | 175934 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 517 | 7 | 2 | 5 | 3.8 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 49864841 | 22503 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
| CHEMBL1222552 | 22503 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 266 | 1 | 1 | 4 | 1.6 | C1=C(N2CCNCC2)c2nccn2Cc2ccccc21 | 10.1016/j.bmcl.2010.07.029 | ||
| 53327991 | 70175 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796046 | 70175 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 15254720 | 68075 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL1767136 | 68075 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 24804150 | 87255 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 641 | 14 | 0 | 7 | 7.2 | O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146813 | 87255 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 641 | 14 | 0 | 7 | 7.2 | O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| 71456360 | 87250 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146808 | 87250 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 412 | 7 | 0 | 6 | 3.1 | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 2419 | 7482 | 28 | None | - | 3 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | ||
| 9 | 7482 | 28 | None | - | 3 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | ||
| 17747460 | 68103 | 12 | None | - | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL1767164 | 68103 | 12 | None | - | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1016/j.bmc.2012.08.032 | ||
| 25071929 | 25851 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289038 | 25851 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 71456361 | 87254 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 2.5 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146812 | 87254 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 2.5 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 44288729 | 170518 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 507 | 7 | 2 | 5 | 3.5 | CC1=C(C(=O)NCC(C)CN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL42053 | 170518 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 507 | 7 | 2 | 5 | 3.5 | CC1=C(C(=O)NCC(C)CN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 2267 | 7347 | 71 | None | -45 | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| 271 | 7347 | 71 | None | -45 | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| 7121 | 7347 | 71 | None | -45 | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL639 | 7347 | 71 | None | -45 | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| DB00972 | 7347 | 71 | None | -45 | 14 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmc.2012.08.032 | ||
| 71454639 | 87252 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146810 | 87252 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 25073801 | 25956 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289714 | 25956 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 71461782 | 87248 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146806 | 87248 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 410 | 7 | 0 | 5 | 4.3 | CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 71452872 | 87209 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| CHEMBL2146484 | 87209 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 368 | 4 | 0 | 5 | 3.1 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O | 10.1016/j.bmc.2012.08.032 | ||
| 44288877 | 175378 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43594 | 175378 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 549 | 7 | 1 | 5 | 4.3 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 25073189 | 25887 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289268 | 25887 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
| 25072880 | 25906 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289386 | 25906 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 135398745 | 9688 | 112 | None | -2 | 33 | Rat | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| 47 | 9688 | 112 | None | -2 | 33 | Rat | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| CHEMBL715 | 9688 | 112 | None | -2 | 33 | Rat | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| DB00334 | 9688 | 112 | None | -2 | 33 | Rat | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| 41835 | 224494 | 0 | None | -54 | 2 | Human | 6.1 | pA2 | = | 6.1 | Functional | Drug Central | 372 | 8 | 4 | 6 | 1.9 | CC(CCC1=CC2=C(OCO2)C=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1 | None | ||
| 1753 | 9282 | 28 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| 483 | 9282 | 28 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| 6082 | 9282 | 28 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| CHEMBL524 | 9282 | 28 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| DB00723 | 9282 | 28 | None | 2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| 2435 | 7509 | 100 | None | -25 | 10 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 395 | 7509 | 100 | None | -25 | 10 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 520 | 7509 | 100 | None | -25 | 10 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 5386 | 7509 | 100 | None | -25 | 10 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| CHEMBL844 | 7509 | 100 | None | -25 | 10 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| DB00484 | 7509 | 100 | None | -25 | 10 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 521 | 8186 | 69 | None | -501 | 5 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 5311068 | 8186 | 69 | None | -501 | 5 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 835 | 8186 | 69 | None | -501 | 5 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| CHEMBL778 | 8186 | 69 | None | -501 | 5 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| DB00633 | 8186 | 69 | None | -501 | 5 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 2683 | 10606 | 60 | None | 1 | 6 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 5487 | 10606 | 60 | None | 1 | 6 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 7308 | 10606 | 60 | None | 1 | 6 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| CHEMBL1079 | 10606 | 60 | None | 1 | 6 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| DB00697 | 10606 | 60 | None | 1 | 6 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | None | ||
| 2803 | 7742 | 58 | None | -6 | 14 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 7742 | 58 | None | -6 | 14 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 7742 | 58 | None | -6 | 14 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 7742 | 58 | None | -6 | 14 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 7742 | 58 | None | -6 | 14 | Bovine | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 1753 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| 1753 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| 1753 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 483 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| 483 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| 483 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 6082 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| 6082 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| 6082 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| CHEMBL524 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| CHEMBL524 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| CHEMBL524 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| DB00723 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| DB00723 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| DB00723 | 9282 | 28 | None | 2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 2146 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| 2146 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| 2146 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 485 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| 485 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| 485 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 6041 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| 6041 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| 6041 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| CHEMBL1215 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| CHEMBL1215 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| CHEMBL1215 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| DB00388 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| DB00388 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| DB00388 | 9874 | 67 | None | -20 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| 1960 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| 439260 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| 505 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| CHEMBL1437 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| DB00368 | 9632 | 67 | None | -2 | 19 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 1028 | 7079 | 71 | None | 1 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 139148732 | 7079 | 71 | None | 1 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 479 | 7079 | 71 | None | 1 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 5816 | 7079 | 71 | None | 1 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL679 | 7079 | 71 | None | 1 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00668 | 7079 | 71 | None | 1 | 19 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 11079 | 9510 | 63 | None | 5 | 7 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 3369 | 9510 | 63 | None | 5 | 7 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 4436 | 9510 | 63 | None | 5 | 7 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 5509 | 9510 | 63 | None | 5 | 7 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| CHEMBL761 | 9510 | 63 | None | 5 | 7 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| DB06711 | 9510 | 63 | None | 5 | 7 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 2765 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| 2765 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 515 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| 515 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| CHEMBL13852 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| CHEMBL13852 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| DB09202 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| DB09202 | 7730 | 19 | None | 4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| 124 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| 2032 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| 4636 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| CHEMBL762 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| DB00935 | 9755 | 47 | None | -8 | 25 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 4038180 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 20978120 | ||
| 4038180 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 28444738 | ||
| 4038180 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| 4038180 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 7616455 | ||
| 480 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 20978120 | ||
| 480 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 28444738 | ||
| 480 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| 480 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 7616455 | ||
| CHEMBL109783 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 20978120 | ||
| CHEMBL109783 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 28444738 | ||
| CHEMBL109783 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| CHEMBL109783 | 6992 | 14 | None | -1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 7616455 | ||
| 135 | 9310 | 43 | None | -2 | 33 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 9310 | 43 | None | -2 | 33 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 9310 | 43 | None | -2 | 33 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 9310 | 43 | None | -2 | 33 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 9310 | 43 | None | -2 | 33 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2398 | 7741 | 62 | None | -2 | 36 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 2801 | 7741 | 62 | None | -2 | 36 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 701 | 7741 | 62 | None | -2 | 36 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| CHEMBL415 | 7741 | 62 | None | -2 | 36 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| DB01242 | 7741 | 62 | None | -2 | 36 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 1971 | 9641 | 38 | None | -6 | 32 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2404 | 9641 | 38 | None | -6 | 32 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 4543 | 9641 | 38 | None | -6 | 32 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| CHEMBL445 | 9641 | 38 | None | -6 | 32 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| DB00540 | 9641 | 38 | None | -6 | 32 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 180 | 7189 | 56 | None | -3 | 38 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 7189 | 56 | None | -3 | 38 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 7189 | 56 | None | -3 | 38 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 7189 | 56 | None | -3 | 38 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 7189 | 56 | None | -3 | 38 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 1225 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667468 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL101740 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 8253 | 26 | None | -5 | 11 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3823 | 56995 | 42 | None | 5 | 16 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 76973198 | 56995 | 42 | None | 5 | 16 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL157101 | 56995 | 42 | None | 5 | 16 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 2812 | 11551 | 101 | None | -3 | 44 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 11551 | 101 | None | -3 | 44 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 1016 | 10519 | 78 | None | -41 | 40 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 10519 | 78 | None | -41 | 40 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 10519 | 78 | None | -41 | 40 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 10519 | 78 | None | -41 | 40 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 10519 | 78 | None | -41 | 40 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 10519 | 78 | None | -41 | 40 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 3198 | 212292 | 76 | None | -1 | 37 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 212292 | 76 | None | -1 | 37 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 212292 | 76 | None | -1 | 37 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 448537 | 167029 | 89 | None | 8 | 31 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| CHEMBL411 | 167029 | 89 | None | 8 | 31 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| 441383 | 27105 | 57 | None | -2 | 20 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL1306 | 27105 | 57 | None | -2 | 20 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 10219 | 195575 | 37 | None | -1 | 10 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
| CHEMBL493439 | 195575 | 37 | None | -1 | 10 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
| CHEMBL50588 | 195575 | 37 | None | -1 | 10 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | ||
| 1599 | 9120 | 50 | None | -97 | 21 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 3955 | 9120 | 50 | None | -97 | 21 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 7215 | 9120 | 50 | None | -97 | 21 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL841 | 9120 | 50 | None | -97 | 21 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| DB00836 | 9120 | 50 | None | -97 | 21 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 2291 | 9958 | 58 | None | -3 | 13 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 2561 | 9958 | 58 | None | -3 | 13 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 4932 | 9958 | 58 | None | -3 | 13 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| CHEMBL631 | 9958 | 58 | None | -3 | 13 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| DB01182 | 9958 | 58 | None | -3 | 13 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 1935 | 10506 | 97 | None | -1 | 12 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 2551 | 10506 | 97 | None | -1 | 12 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 6687 | 10506 | 97 | None | -1 | 12 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| CHEMBL95 | 10506 | 97 | None | -1 | 12 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| DB00382 | 10506 | 97 | None | -1 | 12 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 3191 | 109635 | 97 | None | -6 | 33 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 109635 | 97 | None | -6 | 33 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| DB11742 | 109635 | 97 | None | -6 | 33 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 2351 | 10059 | 64 | None | -16 | 27 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 2820 | 10059 | 64 | None | -16 | 27 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 5035 | 10059 | 64 | None | -16 | 27 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| CHEMBL81 | 10059 | 64 | None | -16 | 27 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| DB00481 | 10059 | 64 | None | -16 | 27 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | ||
| 2520 | 210787 | 70 | None | 1 | 20 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL1280 | 210787 | 70 | None | 1 | 20 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL6966 | 210787 | 70 | None | 1 | 20 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| 2105 | 9828 | 37 | None | -16 | 24 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 9828 | 37 | None | -16 | 24 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 9828 | 37 | None | -16 | 24 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 9828 | 37 | None | -16 | 24 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 9828 | 37 | None | -16 | 24 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 1547484 | 7727 | 74 | None | -1 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 654 | 7727 | 74 | None | -1 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 9072 | 7727 | 74 | None | -1 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL43064 | 7727 | 74 | None | -1 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB00568 | 7727 | 74 | None | -1 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 2771 | 201796 | 74 | None | 3 | 16 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 201796 | 74 | None | 3 | 16 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 201796 | 74 | None | 3 | 16 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 1343 | 8670 | 62 | None | -7 | 12 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 3519 | 8670 | 62 | None | -7 | 12 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 522 | 8670 | 62 | None | -7 | 12 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| CHEMBL862 | 8670 | 62 | None | -7 | 12 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| DB01018 | 8670 | 62 | None | -7 | 12 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | ||
| 102 | 10899 | 48 | None | -12 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 10899 | 48 | None | -12 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 10899 | 48 | None | -12 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 10899 | 48 | None | -12 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 10899 | 48 | None | -12 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 4735 | 201894 | 96 | None | 7 | 14 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL361506 | 201894 | 96 | None | 7 | 14 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL55 | 201894 | 96 | None | 7 | 14 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| 12488 | 8438 | 56 | None | -2 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 941361 | 8438 | 56 | None | -2 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| CHEMBL30008 | 8438 | 56 | None | -2 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| DB04841 | 8438 | 56 | None | -2 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 1028 | 7079 | 71 | None | -3 | 19 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 7079 | 71 | None | -3 | 19 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 7079 | 71 | None | -3 | 19 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 7079 | 71 | None | -3 | 19 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 7079 | 71 | None | -3 | 19 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 7079 | 71 | None | -3 | 19 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 4011 | 89183 | 49 | None | -7 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 89183 | 49 | None | -7 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 3952 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5353646 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5443 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 5702063 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL1331786 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| CHEMBL420 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| DB00629 | 8669 | 38 | None | -5 | 21 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | ||
| 191 | 7191 | 98 | None | -7 | 36 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 201 | 7191 | 98 | None | -7 | 36 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2170 | 7191 | 98 | None | -7 | 36 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| CHEMBL1113 | 7191 | 98 | None | -7 | 36 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| DB00543 | 7191 | 98 | None | -7 | 36 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 3151 | 8244 | 97 | None | -10 | 23 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 945 | 8244 | 97 | None | -10 | 23 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 965 | 8244 | 97 | None | -10 | 23 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| CHEMBL219916 | 8244 | 97 | None | -10 | 23 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| DB01184 | 8244 | 97 | None | -10 | 23 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 277 | 8083 | 62 | None | -40 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 8083 | 62 | None | -40 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 8083 | 62 | None | -40 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 8083 | 62 | None | -40 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 8083 | 62 | None | -40 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 6075 | 156887 | 42 | None | -1 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| CHEMBL395110 | 156887 | 42 | None | -1 | 20 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| 1201549 | 7384 | 24 | None | -15 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 7384 | 24 | None | -15 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 7384 | 24 | None | -15 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 7384 | 24 | None | -15 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 7384 | 24 | None | -15 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 7384 | 24 | None | -15 | 26 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 213 | 10625 | 55 | None | -3 | 22 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 10625 | 55 | None | -3 | 22 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 10625 | 55 | None | -3 | 22 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 10625 | 55 | None | -3 | 22 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 10625 | 55 | None | -3 | 22 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 36811 | 8236 | 37 | None | 1 | 17 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 535 | 8236 | 37 | None | 1 | 17 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 937 | 8236 | 37 | None | 1 | 17 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL926 | 8236 | 37 | None | 1 | 17 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| DB00841 | 8236 | 37 | None | 1 | 17 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 3033538 | 8101 | 39 | None | -3 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| 7155 | 8101 | 39 | None | -3 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| 781 | 8101 | 39 | None | -3 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| CHEMBL1201216 | 8101 | 39 | None | -3 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| DB00298 | 8101 | 39 | None | -3 | 13 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | ||
| 133 | 9274 | 52 | None | -66 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 9274 | 52 | None | -66 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 9274 | 52 | None | -66 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 9274 | 52 | None | -66 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 9274 | 52 | None | -66 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 2337 | 10030 | 77 | None | -4 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 10030 | 77 | None | -4 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 10030 | 77 | None | -4 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 10030 | 77 | None | -4 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 10030 | 77 | None | -4 | 29 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 10030 | 77 | None | -1 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 10030 | 77 | None | -1 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 10030 | 77 | None | -1 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 10030 | 77 | None | -1 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 10030 | 77 | None | -1 | 29 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2286 | 9957 | 51 | None | -5 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 9957 | 51 | None | -5 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 9957 | 51 | None | -5 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 9957 | 51 | None | -5 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 9957 | 51 | None | -5 | 28 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 135398745 | 9688 | 112 | None | -2 | 33 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 9688 | 112 | None | -2 | 33 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 9688 | 112 | None | -2 | 33 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 9688 | 112 | None | -2 | 33 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1531 | 9046 | 69 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 3869 | 9046 | 69 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 7207 | 9046 | 69 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| CHEMBL429 | 9046 | 69 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| DB00598 | 9046 | 69 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 2136 | 9869 | 30 | None | 1 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| 4768 | 9869 | 30 | None | 1 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| 7268 | 9869 | 30 | None | 1 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| CHEMBL753 | 9869 | 30 | None | 1 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| DB00925 | 9869 | 30 | None | 1 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| 26987 | 7736 | 33 | None | -16 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 6063 | 7736 | 33 | None | -16 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 671 | 7736 | 33 | None | -16 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| CHEMBL1626 | 7736 | 33 | None | -16 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| DB00283 | 7736 | 33 | None | -16 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 2274 | 9947 | 58 | None | 1 | 37 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 9947 | 58 | None | 1 | 37 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 9947 | 58 | None | 1 | 37 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 9947 | 58 | None | 1 | 37 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 9947 | 58 | None | 1 | 37 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 1427 | 8794 | 54 | None | -112 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 8794 | 54 | None | -112 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 8794 | 54 | None | -112 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 8794 | 54 | None | -112 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 8794 | 54 | None | -112 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 2247 | 7293 | 81 | None | 4 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 7293 | 81 | None | 4 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 7293 | 81 | None | 4 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 7293 | 81 | None | 4 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 7293 | 81 | None | 4 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 1212 | 8443 | 50 | None | -6 | 35 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 8443 | 50 | None | -6 | 35 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 8443 | 50 | None | -6 | 35 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 8443 | 50 | None | -6 | 35 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 8443 | 50 | None | -6 | 35 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 1588 | 9105 | 27 | None | -77 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 9105 | 27 | None | -77 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 9105 | 27 | None | -77 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 9105 | 27 | None | -77 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 9105 | 27 | None | -77 | 23 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 180 | 7189 | 56 | None | -63 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 7189 | 56 | None | -63 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 7189 | 56 | None | -63 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 7189 | 56 | None | -63 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 7189 | 56 | None | -63 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 100 | 10577 | 58 | None | -8 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 10577 | 58 | None | -8 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 10577 | 58 | None | -8 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 10577 | 58 | None | -8 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 10577 | 58 | None | -8 | 38 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 134551 | 7146 | 27 | None | -15 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| 271 | 7146 | 27 | None | -15 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| 885 | 7146 | 27 | None | -15 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| CHEMBL1403281 | 7146 | 27 | None | -15 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | ||
| 2142 | 9870 | 58 | None | 1 | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 9870 | 58 | None | 1 | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 9870 | 58 | None | 1 | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 9870 | 58 | None | 1 | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 9870 | 58 | None | 1 | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 9870 | 58 | None | 1 | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 2284 | 9956 | 33 | None | -1 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 9956 | 33 | None | -1 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 9956 | 33 | None | -1 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 9956 | 33 | None | -1 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 9956 | 33 | None | -1 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 2726 | 7706 | 68 | None | -3 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 7706 | 68 | None | -3 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 7706 | 68 | None | -3 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 7706 | 68 | None | -3 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 7706 | 68 | None | -3 | 42 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 11954224 | 222732 | 0 | None | -1 | 5 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 2585 | 7590 | 103 | None | -10 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 522 | 7590 | 103 | None | -10 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 551 | 7590 | 103 | None | -10 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| CHEMBL723 | 7590 | 103 | None | -10 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| DB01136 | 7590 | 103 | None | -10 | 34 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 31101 | 7516 | 40 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 7516 | 40 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 7516 | 40 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 7516 | 40 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 7516 | 40 | None | -2 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 100 | 10577 | 58 | None | -1 | 38 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 10577 | 58 | None | -1 | 38 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 10577 | 58 | None | -1 | 38 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 10577 | 58 | None | -1 | 38 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 10577 | 58 | None | -1 | 38 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 6761 | 74574 | 19 | None | -3 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| CHEMBL1909072 | 74574 | 19 | None | -3 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| 10531 | 8202 | 21 | None | -7 | 26 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 121 | 8202 | 21 | None | -7 | 26 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 888 | 8202 | 21 | None | -7 | 26 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| CHEMBL1732 | 8202 | 21 | None | -7 | 26 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| DB00320 | 8202 | 21 | None | -7 | 26 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | ||
| 3168 | 16034 | 92 | None | -1 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL1108 | 16034 | 92 | None | -1 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| DB00450 | 16034 | 92 | None | -1 | 17 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| 107715 | 207724 | 22 | None | -2 | 19 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
| CHEMBL1255837 | 207724 | 22 | None | -2 | 19 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
| CHEMBL601773 | 207724 | 22 | None | -2 | 19 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | ||
| 3157 | 8252 | 71 | None | -2 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 7170 | 8252 | 71 | None | -2 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 954 | 8252 | 71 | None | -2 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| DB00590 | 8252 | 71 | None | -2 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 4151 | 10379 | 89 | None | -1 | 10 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| 493 | 10379 | 89 | None | -1 | 10 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| 5312125 | 10379 | 89 | None | -1 | 10 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| CHEMBL24778 | 10379 | 89 | None | -1 | 10 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| DB06207 | 10379 | 89 | None | -1 | 10 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| 213 | 10625 | 55 | None | -18 | 22 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 10625 | 55 | None | -18 | 22 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 10625 | 55 | None | -18 | 22 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 10625 | 55 | None | -18 | 22 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 10625 | 55 | None | -18 | 22 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2995 | 211184 | 53 | None | -2 | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 211184 | 53 | None | -2 | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 211184 | 53 | None | -2 | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| DB01151 | 211184 | 53 | None | -2 | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 4011 | 89183 | 49 | None | -8 | 26 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 89183 | 49 | None | -8 | 26 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 1531 | 9046 | 69 | None | -1 | 12 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| 3869 | 9046 | 69 | None | -1 | 12 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| 7207 | 9046 | 69 | None | -1 | 12 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| CHEMBL429 | 9046 | 69 | None | -1 | 12 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| DB00598 | 9046 | 69 | None | -1 | 12 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 3294 | 8787 | 111 | None | -10 | 44 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 71360 | 8787 | 111 | None | -10 | 44 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 87 | 8787 | 111 | None | -10 | 44 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL14376 | 8787 | 111 | None | -10 | 44 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| DB04946 | 8787 | 111 | None | -10 | 44 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | 10.1038/s41467-023-40064-9 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 31729 | 212563 | 10 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL83063 | 212563 | 10 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1193 | 8437 | 108 | None | - | 0 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2447 | 8437 | 108 | None | - | 0 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3371 | 8437 | 108 | None | - | 0 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL23588 | 8437 | 108 | None | - | 0 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB02266 | 8437 | 108 | None | - | 0 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5468 | 134006 | 85 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 260 | 4 | 1 | 3 | 3.2 | CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL365795 | 134006 | 85 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 260 | 4 | 1 | 3 | 3.2 | CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 | 10.1038/s41467-023-40064-9 | ||
| 5833 | 37257 | 74 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1393 | 37257 | 74 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 | 10.1038/s41467-023-40064-9 | ||
| 1530 | 8963 | 50 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3827 | 8963 | 50 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 7206 | 8963 | 50 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL534 | 8963 | 50 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00920 | 8963 | 50 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 202 | 8290 | 77 | None | - | 33 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60835 | 8290 | 77 | None | - | 33 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 972 | 8290 | 77 | None | - | 33 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1175 | 8290 | 77 | None | - | 33 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00476 | 8290 | 77 | None | - | 33 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3339 | 210420 | 117 | None | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL672 | 210420 | 117 | None | - | 5 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4679 | 49535 | 89 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 383 | 7 | 1 | 6 | 2.9 | COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1502 | 49535 | 89 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 383 | 7 | 1 | 6 | 2.9 | COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC | 10.1038/s41467-023-40064-9 | ||
| 2762 | 10635 | 31 | None | - | 2 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 5587 | 10635 | 31 | None | - | 2 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 7318 | 10635 | 31 | None | - | 2 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1241 | 10635 | 31 | None | - | 2 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| DB00792 | 10635 | 31 | None | - | 2 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 6 | 0 | 3 | 2.7 | CN(CCN(c1ccccn1)Cc1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 154257 | 185398 | 67 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46740 | 185398 | 67 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | ||
| 2303 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4946 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 564 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 63 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 91536 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL27 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL452861 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00571 | 9961 | 68 | None | - | 26 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 3121 | 14657 | 104 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 144 | 5 | 1 | 1 | 2.3 | CCCC(CCC)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL109 | 14657 | 104 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 144 | 5 | 1 | 1 | 2.3 | CCCC(CCC)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL433 | 14657 | 104 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 144 | 5 | 1 | 1 | 2.3 | CCCC(CCC)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 1212 | 8443 | 50 | None | -16 | 65 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 204 | 8443 | 50 | None | -16 | 65 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3372 | 8443 | 50 | None | -16 | 65 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL726 | 8443 | 50 | None | -16 | 65 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00623 | 8443 | 50 | None | -16 | 65 | Human | 8.0 | pAC50 | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5311507 | 201594 | 41 | None | - | 1 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL53904 | 201594 | 41 | None | - | 1 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB01624 | 201594 | 41 | None | - | 1 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 4.2 | OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 68602 | 211905 | 80 | None | - | 8 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL77921 | 211905 | 80 | None | - | 8 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | 10.1038/s41467-023-40064-9 | ||
| 2771 | 201796 | 74 | None | - | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200781 | 201796 | 74 | None | - | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL549 | 201796 | 74 | None | - | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 3878 | 211482 | 122 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 1 | 2 | 5 | 2.0 | Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL741 | 211482 | 122 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 255 | 1 | 2 | 5 | 2.0 | Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| 5666 | 109769 | 35 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 237 | 5 | 1 | 4 | 1.5 | CCOc1ccccc1OCC1CNCCO1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL306700 | 109769 | 35 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 237 | 5 | 1 | 4 | 1.5 | CCOc1ccccc1OCC1CNCCO1 | 10.1038/s41467-023-40064-9 | ||
| 54477 | 91428 | 36 | None | - | 22 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22242 | 91428 | 36 | None | - | 22 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | 10.1038/s41467-023-40064-9 | ||
| 1971 | 9641 | 38 | None | -1 | 30 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2404 | 9641 | 38 | None | -1 | 30 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4543 | 9641 | 38 | None | -1 | 30 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL445 | 9641 | 38 | None | -1 | 30 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00540 | 9641 | 38 | None | -1 | 30 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1155 | 8410 | 53 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3343 | 8410 | 53 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 557 | 8410 | 53 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL32800 | 8410 | 53 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB01288 | 8410 | 53 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3324 | 213217 | 115 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 321 | 7 | 1 | 9 | 0.5 | CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL880 | 213217 | 115 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 321 | 7 | 1 | 9 | 0.5 | CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O | 10.1038/s41467-023-40064-9 | ||
| 2795 | 21266 | 37 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 289 | 5 | 1 | 2 | 3.5 | CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201313 | 21266 | 37 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 289 | 5 | 1 | 2 | 3.5 | CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 2802 | 179868 | 36 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 315 | 2 | 1 | 4 | 3.0 | O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL452 | 179868 | 36 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 315 | 2 | 1 | 4 | 3.0 | O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1 | 10.1038/s41467-023-40064-9 | ||
| 2372 | 113245 | 40 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL314010 | 113245 | 40 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 345 | 10 | 2 | 5 | 2.6 | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 150 | 9287 | 21 | None | - | 16 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 1764 | 9287 | 21 | None | - | 16 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 8226 | 9287 | 21 | None | - | 16 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201356 | 9287 | 21 | None | - | 16 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| DB00353 | 9287 | 21 | None | - | 16 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO | 10.1038/s41467-023-40064-9 | ||
| 5770 | 211837 | 82 | None | - | 7 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL772 | 211837 | 82 | None | - | 7 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
| 2200 | 26975 | 61 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256819 | 26975 | 61 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1305 | 26975 | 61 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB08799 | 26975 | 61 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 102 | 10899 | 48 | None | -346 | 49 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3659 | 10899 | 48 | None | -346 | 49 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 8969 | 10899 | 48 | None | -346 | 49 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL15245 | 10899 | 48 | None | -346 | 49 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01392 | 10899 | 48 | None | -346 | 49 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 9931954 | 17706 | 76 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1173055 | 17706 | 76 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 323 | 3 | 3 | 2 | 3.0 | CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5591 | 164310 | 90 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL408 | 164310 | 90 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| 2274 | 9947 | 58 | None | -3 | 31 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4917 | 9947 | 58 | None | -3 | 31 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 7279 | 9947 | 58 | None | -3 | 31 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL728 | 9947 | 58 | None | -3 | 31 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00433 | 9947 | 58 | None | -3 | 31 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 26757 | 214757 | 31 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL972 | 214757 | 31 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@H](C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 10879 | 53 | None | -9 | 8 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 517 | 10879 | 53 | None | -9 | 8 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 5709 | 10879 | 53 | None | -9 | 8 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL312448 | 10879 | 53 | None | -9 | 8 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB06694 | 10879 | 53 | None | -9 | 8 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 3151 | 8244 | 97 | None | -8 | 26 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 945 | 8244 | 97 | None | -8 | 26 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 965 | 8244 | 97 | None | -8 | 26 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL219916 | 8244 | 97 | None | -8 | 26 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01184 | 8244 | 97 | None | -8 | 26 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3333 | 46942 | 111 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1480 | 46942 | 111 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 12582 | 7737 | 45 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| 2783 | 7737 | 45 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL49080 | 7737 | 45 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| DB01407 | 7737 | 45 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1038/s41467-023-40064-9 | ||
| 56959 | 38330 | 103 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1404 | 38330 | 103 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1526084 | 38330 | 103 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 427 | 9 | 2 | 6 | 2.3 | COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2284 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2337 | 10030 | 77 | None | -5 | 62 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 50 | 10030 | 77 | None | -5 | 62 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5002 | 10030 | 77 | None | -5 | 62 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL716 | 10030 | 77 | None | -5 | 62 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01224 | 10030 | 77 | None | -5 | 62 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1890 | 9535 | 49 | None | -1 | 16 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 4449 | 9535 | 49 | None | -1 | 16 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 7247 | 9535 | 49 | None | -1 | 16 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL623 | 9535 | 49 | None | -1 | 16 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01149 | 9535 | 49 | None | -1 | 16 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 2218 | 22055 | 23 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213033 | 22055 | 23 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 322 | 8 | 0 | 2 | 4.4 | CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1 | 10.1038/s41467-023-40064-9 | ||
| 25151352 | 147384 | 67 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3813873 | 147384 | 67 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | ||
| 2576 | 23215 | 62 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 2 | 4 | 2.0 | CCCC(C)(COC(N)=O)COC(=O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1233 | 23215 | 62 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 260 | 7 | 2 | 4 | 2.0 | CCCC(C)(COC(N)=O)COC(=O)NC(C)C | 10.1038/s41467-023-40064-9 | ||
| 5280343 | 195054 | 124 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1520590 | 195054 | 124 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL50 | 195054 | 124 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | ||
| 2237 | 9936 | 79 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | ||
| 3634 | 9936 | 79 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | ||
| 4887 | 9936 | 79 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL21333 | 9936 | 79 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | ||
| DB01411 | 9936 | 79 | None | - | 3 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 481 | 9 | 2 | 7 | 4.6 | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 | 10.1038/s41467-023-40064-9 | ||
| 2520 | 210787 | 70 | None | - | 12 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1280 | 210787 | 70 | None | - | 12 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6966 | 210787 | 70 | None | - | 12 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 135 | 9310 | 43 | None | -40 | 56 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 1796 | 9310 | 43 | None | -40 | 56 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4184 | 9310 | 43 | None | -40 | 56 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6437 | 9310 | 43 | None | -40 | 56 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB06148 | 9310 | 43 | None | -40 | 56 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 5482 | 21192 | 80 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200438 | 21192 | 80 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 1224 | 8214 | 83 | None | - | 13 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 3100 | 8214 | 83 | None | - | 13 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 8980 | 8214 | 83 | None | - | 13 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 916 | 8214 | 83 | None | - | 13 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL657 | 8214 | 83 | None | - | 13 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| DB01075 | 8214 | 83 | None | - | 13 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 5329 | 176255 | 119 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 253 | 3 | 2 | 5 | 1.4 | Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL443 | 176255 | 119 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 253 | 3 | 2 | 5 | 1.4 | Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 | 10.1038/s41467-023-40064-9 | ||
| 104850 | 10103 | 96 | None | - | 6 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 4150 | 10103 | 96 | None | - | 6 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 743 | 10103 | 96 | None | - | 6 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL111 | 10103 | 96 | None | - | 6 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| DB06155 | 10103 | 96 | None | - | 6 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | ||
| 3463 | 181925 | 107 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 250 | 6 | 1 | 2 | 3.6 | Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL457 | 181925 | 107 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 250 | 6 | 1 | 2 | 3.6 | Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 | 10.1038/s41467-023-40064-9 | ||
| 2351 | 10059 | 64 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| 2820 | 10059 | 64 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| 5035 | 10059 | 64 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL81 | 10059 | 64 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00481 | 10059 | 64 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | ||
| 4775 | 45870 | 132 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 164 | 4 | 1 | 1 | 2.1 | O=C(O)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1469 | 45870 | 132 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 164 | 4 | 1 | 1 | 2.1 | O=C(O)CCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 9417 | 140290 | 54 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1524185 | 140290 | 54 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL370753 | 140290 | 54 | None | - | 0 | Human | 5.9 | pAC50 | = | 5.9 | Binding | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4659569 | 29103 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1324 | 29103 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1786 | 9298 | 85 | None | - | 11 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 4171 | 9298 | 85 | None | - | 11 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 553 | 9298 | 85 | None | - | 11 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL13 | 9298 | 85 | None | - | 11 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB00264 | 9298 | 85 | None | - | 11 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 1830 | 9368 | 44 | None | 1 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 207 | 9368 | 44 | None | 1 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 23897 | 9368 | 44 | None | 1 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL460 | 9368 | 44 | None | 1 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| DB01618 | 9368 | 44 | None | 1 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | 10.1038/s41467-023-40064-9 | ||
| 8249 | 66179 | 65 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 205 | 3 | 5 | 2 | 0.2 | N=C(N)NC(=N)NCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1528839 | 66179 | 65 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 205 | 3 | 5 | 2 | 0.2 | N=C(N)NC(=N)NCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL170988 | 66179 | 65 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 205 | 3 | 5 | 2 | 0.2 | N=C(N)NC(=N)NCCc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2200 | 26975 | 61 | None | - | 2 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256819 | 26975 | 61 | None | - | 2 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1305 | 26975 | 61 | None | - | 2 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB08799 | 26975 | 61 | None | - | 2 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 31729 | 212563 | 10 | None | - | 0 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL83063 | 212563 | 10 | None | - | 0 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5284616 | 168406 | 55 | None | - | 0 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL413 | 168406 | 55 | None | - | 0 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | ||
| 191 | 7191 | 98 | None | - | 29 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 7191 | 98 | None | - | 29 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 7191 | 98 | None | - | 29 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 7191 | 98 | None | - | 29 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 7191 | 98 | None | - | 29 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 100 | 10577 | 58 | None | - | 54 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2637 | 10577 | 58 | None | - | 54 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 5452 | 10577 | 58 | None | - | 54 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL479 | 10577 | 58 | None | - | 54 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00679 | 10577 | 58 | None | - | 54 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4499 | 66549 | 99 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1726 | 66549 | 99 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | ||
| 5280453 | 212750 | 74 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL846 | 212750 | 74 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| 1577 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 2537 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 5355 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 5501 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 643497 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 688272 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 958 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 960 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL196677 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL26 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267044 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| DB00391 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| DB16021 | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| nan | 10475 | 110 | None | - | 20 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 341 | 6 | 2 | 5 | 0.6 | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | 10.1038/s41467-023-40064-9 | ||
| 2286 | 9957 | 51 | None | - | 30 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 4927 | 9957 | 51 | None | - | 30 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7282 | 9957 | 51 | None | - | 30 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL643 | 9957 | 51 | None | - | 30 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01069 | 9957 | 51 | None | - | 30 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 2220 | 9908 | 82 | None | - | 14 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 27400 | 9908 | 82 | None | - | 14 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 93 | 9908 | 82 | None | - | 14 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL294951 | 9908 | 82 | None | - | 14 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB06153 | 9908 | 82 | None | - | 14 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 1400 | 8738 | 70 | None | - | 3 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 8738 | 70 | None | - | 3 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7199 | 8738 | 70 | None | - | 3 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 91513 | 8738 | 70 | None | - | 3 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL896 | 8738 | 70 | None | - | 3 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00557 | 8738 | 70 | None | - | 3 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 1613 | 9127 | 53 | None | -2 | 44 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 9127 | 53 | None | -2 | 44 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 9127 | 53 | None | -2 | 44 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 9127 | 53 | None | -2 | 44 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 9127 | 53 | None | -2 | 44 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 176 | 7186 | 66 | None | - | 31 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2157 | 7186 | 66 | None | - | 31 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2566 | 7186 | 66 | None | - | 31 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL633 | 7186 | 66 | None | - | 31 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01118 | 7186 | 66 | None | - | 31 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1222 | 8445 | 49 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3396 | 8445 | 49 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 85 | 8445 | 49 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46516 | 8445 | 49 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB04842 | 8445 | 49 | None | - | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2435 | 10362 | 83 | None | -16 | 48 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 60149 | 10362 | 83 | None | -16 | 48 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 98 | 10362 | 83 | None | -16 | 48 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL12713 | 10362 | 83 | None | -16 | 48 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| DB06144 | 10362 | 83 | None | -16 | 48 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 2284 | 9956 | 33 | None | -3 | 29 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 9956 | 33 | None | -3 | 29 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 9956 | 33 | None | -3 | 29 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 9956 | 33 | None | -3 | 29 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 9956 | 33 | None | -3 | 29 | Human | 7.8 | pAC50 | = | 7.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2105 | 9828 | 37 | None | -2 | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 47811 | 9828 | 37 | None | -2 | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 48 | 9828 | 37 | None | -2 | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL531 | 9828 | 37 | None | -2 | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| DB01186 | 9828 | 37 | None | -2 | 32 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | ||
| 37264 | 196201 | 24 | None | - | 0 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL513301 | 196201 | 24 | None | - | 0 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 435 | 6 | 2 | 10 | 1.3 | COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 10.1038/s41467-023-40064-9 | ||
| 5282230 | 168700 | 87 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 327 | 6 | 2 | 4 | 3.1 | COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415324 | 168700 | 87 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 327 | 6 | 2 | 4 | 3.1 | COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1038/s41467-023-40064-9 | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 19675 | 58444 | 43 | None | - | 0 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1584 | 58444 | 43 | None | - | 0 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 410 | 7 | 1 | 5 | 5.0 | CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 213 | 10625 | 55 | None | - | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2717 | 10625 | 55 | None | - | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5533 | 10625 | 55 | None | - | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL621 | 10625 | 55 | None | - | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00656 | 10625 | 55 | None | - | 43 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 201505 | 86 | None | - | 0 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 201505 | 86 | None | - | 0 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 43815 | 193699 | 64 | None | - | 25 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1708 | 193699 | 64 | None | - | 25 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL490 | 193699 | 64 | None | - | 25 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5039 | 69957 | 17 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1790041 | 69957 | 17 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
| DB00863 | 69957 | 17 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1038/s41467-023-40064-9 | ||
| 2585 | 7590 | 103 | None | -9 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 522 | 7590 | 103 | None | -9 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 551 | 7590 | 103 | None | -9 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL723 | 7590 | 103 | None | -9 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| DB01136 | 7590 | 103 | None | -9 | 22 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 2726 | 7706 | 68 | None | -5 | 72 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 621 | 7706 | 68 | None | -5 | 72 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 83 | 7706 | 68 | None | -5 | 72 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL71 | 7706 | 68 | None | -5 | 72 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00477 | 7706 | 68 | None | -5 | 72 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2683 | 10606 | 60 | None | - | 4 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 5487 | 10606 | 60 | None | - | 4 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 7308 | 10606 | 60 | None | - | 4 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1079 | 10606 | 60 | None | - | 4 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| DB00697 | 10606 | 60 | None | - | 4 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 1353 | 8692 | 93 | None | -6 | 85 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 8692 | 93 | None | -6 | 85 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 8692 | 93 | None | -6 | 85 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 8692 | 93 | None | -6 | 85 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 8692 | 93 | None | -6 | 85 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 31101 | 7516 | 40 | None | -12 | 35 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 35 | 7516 | 40 | None | -12 | 35 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 403 | 7516 | 40 | None | -12 | 35 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493 | 7516 | 40 | None | -12 | 35 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01200 | 7516 | 40 | None | -12 | 35 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 9915743 | 70316 | 93 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 556 | 11 | 2 | 8 | 5.9 | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL180022 | 70316 | 93 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 556 | 11 | 2 | 8 | 5.9 | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | 10.1038/s41467-023-40064-9 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4046 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4252 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL416956 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00358 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 3052776 | 213335 | 90 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 171 | 2 | 1 | 1 | 1.9 | C#CCN[C@@H]1CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL887 | 213335 | 90 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 171 | 2 | 1 | 1 | 1.9 | C#CCN[C@@H]1CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 10545 | 41 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 10545 | 41 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 10545 | 41 | None | - | 2 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 4034 | 62596 | 55 | None | - | 1 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1623 | 62596 | 55 | None | - | 1 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00737 | 62596 | 55 | None | - | 1 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| 16362 | 9899 | 71 | None | -35 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 9899 | 71 | None | -35 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 9899 | 71 | None | -35 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 9899 | 71 | None | -35 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 9899 | 71 | None | -35 | 29 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2536 | 206144 | 40 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 398 | 7 | 3 | 6 | 1.4 | CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL590799 | 206144 | 40 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 398 | 7 | 3 | 6 | 1.4 | CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3158 | 63041 | 27 | None | - | 20 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 63041 | 27 | None | - | 20 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB01142 | 63041 | 27 | None | - | 20 | Human | 7.7 | pAC50 | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 2803 | 7742 | 58 | None | -8 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 516 | 7742 | 58 | None | -8 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 704 | 7742 | 58 | None | -8 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL134 | 7742 | 58 | None | -8 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00575 | 7742 | 58 | None | -8 | 19 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1038/s41467-023-40064-9 | ||
| 47641 | 209650 | 32 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 287 | 5 | 0 | 1 | 5.0 | CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL626 | 209650 | 32 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 287 | 5 | 0 | 1 | 5.0 | CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 2419 | 10236 | 84 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5152 | 10236 | 84 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 559 | 10236 | 84 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1263 | 10236 | 84 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00938 | 10236 | 84 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 21722 | 24764 | 31 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL126224 | 24764 | 31 | None | - | 6 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| 4567 | 16720 | 34 | None | - | 0 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL114655 | 16720 | 34 | None | - | 0 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4046 | 9261 | 33 | None | - | 2 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4252 | 9261 | 33 | None | - | 2 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL416956 | 9261 | 33 | None | - | 2 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00358 | 9261 | 33 | None | - | 2 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 2161 | 15505 | 121 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 298 | 2 | 2 | 5 | 2.7 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1096 | 15505 | 121 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 298 | 2 | 2 | 5 | 2.7 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | 10.1038/s41467-023-40064-9 | ||
| 135398735 | 143746 | 32 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 136262914 | 143746 | 32 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL374478 | 143746 | 32 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 4756 | 23421 | 50 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201022 | 23421 | 50 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1242 | 23421 | 50 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| 1427 | 8794 | 54 | None | - | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 8794 | 54 | None | - | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 8794 | 54 | None | - | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 8794 | 54 | None | - | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 8794 | 54 | None | - | 27 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 154417 | 29953 | 60 | None | - | 5 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1331216 | 29953 | 60 | None | - | 5 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| DB00424 | 29953 | 60 | None | - | 5 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| 212 | 10578 | 47 | None | -7 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 2639 | 10578 | 47 | None | -7 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 941651 | 10578 | 47 | None | -7 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201 | 10578 | 47 | None | -7 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01623 | 10578 | 47 | None | -7 | 25 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 3083544 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200811 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1363 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1951071 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL605993 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB00983 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| DB01274 | 33582 | 51 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5280793 | 53111 | 65 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 396 | 5 | 1 | 1 | 7.6 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1536 | 53111 | 65 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 396 | 5 | 1 | 1 | 7.6 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| 209 | 9831 | 97 | None | -11 | 23 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 2113 | 9831 | 97 | None | -11 | 23 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 4748 | 9831 | 97 | None | -11 | 23 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL567 | 9831 | 97 | None | -11 | 23 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00850 | 9831 | 97 | None | -11 | 23 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 10219 | 195575 | 37 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493439 | 195575 | 37 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL50588 | 195575 | 37 | None | - | 5 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| 1228 | 10638 | 34 | None | - | 4 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| 2763 | 10638 | 34 | None | - | 4 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| 5282443 | 10638 | 34 | None | - | 4 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL855 | 10638 | 34 | None | - | 4 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| DB00427 | 10638 | 34 | None | - | 4 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1 | 10.1038/s41467-023-40064-9 | ||
| 5324346 | 212361 | 59 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1409 | 212361 | 59 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL814 | 212361 | 59 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 36811 | 8236 | 37 | None | - | 7 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 535 | 8236 | 37 | None | - | 7 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 937 | 8236 | 37 | None | - | 7 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL926 | 8236 | 37 | None | - | 7 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00841 | 8236 | 37 | None | - | 7 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 1690 | 9832 | 19 | None | - | 3 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 4058 | 9832 | 19 | None | - | 3 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5750 | 9832 | 19 | None | - | 3 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7221 | 9832 | 19 | None | - | 3 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL607 | 9832 | 19 | None | - | 3 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00454 | 9832 | 19 | None | - | 3 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 247 | 3 | 0 | 3 | 2.2 | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2895 | 210371 | 41 | None | - | 8 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL669 | 210371 | 41 | None | - | 8 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB00924 | 210371 | 41 | None | - | 8 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 102 | 10899 | 48 | None | -346 | 49 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3659 | 10899 | 48 | None | -346 | 49 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 8969 | 10899 | 48 | None | -346 | 49 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL15245 | 10899 | 48 | None | -346 | 49 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01392 | 10899 | 48 | None | -346 | 49 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 10545 | 41 | None | - | 2 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 10545 | 41 | None | - | 2 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 10545 | 41 | None | - | 2 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 16231 | 214288 | 57 | None | - | 17 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL945 | 214288 | 57 | None | - | 17 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | 10.1038/s41467-023-40064-9 | ||
| 2600 | 10551 | 74 | None | - | 13 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2608 | 10551 | 74 | None | - | 13 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5405 | 10551 | 74 | None | - | 13 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17157 | 10551 | 74 | None | - | 13 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00342 | 10551 | 74 | None | - | 13 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2865 | 10915 | 73 | None | -14 | 53 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 59 | 10915 | 73 | None | -14 | 53 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60854 | 10915 | 73 | None | -14 | 53 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL708 | 10915 | 73 | None | -14 | 53 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00246 | 10915 | 73 | None | -14 | 53 | Human | 7.6 | pAC50 | = | 7.6 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 22323 | 22071 | 32 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 9571037 | 22071 | 32 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213553 | 22071 | 32 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 287 | 2 | 5 | 2 | 2.9 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 2705 | 10614 | 64 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 360 | 10614 | 64 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 443879 | 10614 | 64 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1382 | 10614 | 64 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB01036 | 10614 | 64 | None | - | 10 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2247 | 7293 | 81 | None | - | 42 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 7293 | 81 | None | - | 42 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 7293 | 81 | None | - | 42 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 7293 | 81 | None | - | 42 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 7293 | 81 | None | - | 42 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 1024 | 8072 | 71 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 162639143 | 8072 | 71 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 5284373 | 8072 | 71 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 760 | 8072 | 71 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL160 | 8072 | 71 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| DB00091 | 8072 | 71 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 367 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| 5487427 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| 8592 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1900528 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3305968 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4650755 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| DB01409 | 10596 | 12 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| 135401907 | 45632 | 136 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 136 | 0 | 2 | 3 | -0.4 | O=c1ncnc2[nH][nH]cc1-2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1467 | 45632 | 136 | None | - | 1 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 136 | 0 | 2 | 3 | -0.4 | O=c1ncnc2[nH][nH]cc1-2 | 10.1038/s41467-023-40064-9 | ||
| 4940 | 21242 | 35 | None | - | 0 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201210 | 21242 | 35 | None | - | 0 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 340 | 5 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 180 | 7189 | 56 | None | -12 | 40 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 200 | 7189 | 56 | None | -12 | 40 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2160 | 7189 | 56 | None | -12 | 40 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL629 | 7189 | 56 | None | -12 | 40 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00321 | 7189 | 56 | None | -12 | 40 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1547484 | 7727 | 74 | None | - | 20 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 654 | 7727 | 74 | None | - | 20 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 9072 | 7727 | 74 | None | - | 20 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43064 | 7727 | 74 | None | - | 20 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00568 | 7727 | 74 | None | - | 20 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5288783 | 21205 | 50 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 412 | 5 | 3 | 3 | 5.1 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200666 | 21205 | 50 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 412 | 5 | 3 | 3 | 5.1 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | ||
| 119182 | 67181 | 92 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 303 | 2 | 3 | 8 | -0.3 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1750 | 67181 | 92 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 303 | 2 | 3 | 8 | -0.3 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | 10.1038/s41467-023-40064-9 | ||
| 55645 | 91145 | 8 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2218861 | 91145 | 8 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| nan | 91145 | 8 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 395 | 7 | 2 | 4 | 2.1 | CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21 | 10.1038/s41467-023-40064-9 | ||
| 24958200 | 15346 | 76 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.6 | NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1094636 | 15346 | 76 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.6 | NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 | 10.1038/s41467-023-40064-9 | ||
| 18283 | 215091 | 96 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 224 | 2 | 2 | 5 | -0.7 | Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL991 | 215091 | 96 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 224 | 2 | 2 | 5 | -0.7 | Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O | 10.1038/s41467-023-40064-9 | ||
| 4631 | 201751 | 29 | None | - | 7 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL546 | 201751 | 29 | None | - | 7 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01580 | 201751 | 29 | None | - | 7 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 5906 | 21267 | 23 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201319 | 21267 | 23 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00610 | 21267 | 23 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 167 | 2 | 3 | 3 | 0.8 | C[C@H](N)[C@H](O)c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 103 | 10925 | 61 | None | -6 | 53 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2875 | 10925 | 61 | None | -6 | 53 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 5736 | 10925 | 61 | None | -6 | 53 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL285802 | 10925 | 61 | None | -6 | 53 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB09225 | 10925 | 61 | None | -6 | 53 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 9429 | 208912 | 58 | None | - | 4 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL609109 | 208912 | 58 | None | - | 4 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB01622 | 208912 | 58 | None | - | 4 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2286 | 9957 | 51 | None | - | 30 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 4927 | 9957 | 51 | None | - | 30 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7282 | 9957 | 51 | None | - | 30 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL643 | 9957 | 51 | None | - | 30 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01069 | 9957 | 51 | None | - | 30 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 2169 | 51621 | 35 | None | - | 0 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152231 | 51621 | 35 | None | - | 0 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 380 | 9 | 3 | 6 | 1.4 | COc1ccccc1OCCNCC(O)c1ccc(C)c(S(N)(=O)=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 60065 | 91144 | 6 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2218858 | 91144 | 6 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| 5328940 | 106992 | 107 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL288441 | 106992 | 107 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| 2865 | 10915 | 73 | None | -14 | 53 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 59 | 10915 | 73 | None | -14 | 53 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 60854 | 10915 | 73 | None | -14 | 53 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL708 | 10915 | 73 | None | -14 | 53 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00246 | 10915 | 73 | None | -14 | 53 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2470 | 10425 | 50 | None | -208 | 58 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3300 | 10425 | 50 | None | -208 | 58 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5265 | 10425 | 50 | None | -208 | 58 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 99 | 10425 | 50 | None | -208 | 58 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL267930 | 10425 | 50 | None | -208 | 58 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5284550 | 48495 | 15 | None | 1 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1492500 | 48495 | 15 | None | 1 | 9 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 3152 | 195190 | 103 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL502 | 195190 | 103 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| 54671203 | 41784 | 53 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 444 | 2 | 6 | 9 | -0.3 | C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433 | 41784 | 53 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 444 | 2 | 6 | 9 | -0.3 | C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 | 10.1038/s41467-023-40064-9 | ||
| 1231 | 7724 | 116 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | ||
| 2756 | 7724 | 116 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | ||
| 645 | 7724 | 116 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL30 | 7724 | 116 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | ||
| DB00501 | 7724 | 116 | None | - | 8 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1038/s41467-023-40064-9 | ||
| 446598 | 67229 | 50 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 424 | 7 | 4 | 7 | 0.4 | CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1753 | 67229 | 50 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 424 | 7 | 4 | 7 | 0.4 | CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1 | 10.1038/s41467-023-40064-9 | ||
| 68617 | 212306 | 62 | None | 3 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1709 | 212306 | 62 | None | 3 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL809 | 212306 | 62 | None | 3 | 26 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 73348210 | 217728 | 0 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL3039583 | 217728 | 0 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| nan | 217728 | 0 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| 5280954 | 64373 | 32 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 634 | 9 | 1 | 10 | 4.6 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1668 | 64373 | 32 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 634 | 9 | 1 | 10 | 4.6 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | ||
| 1155 | 8410 | 53 | None | - | 5 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 3343 | 8410 | 53 | None | - | 5 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 557 | 8410 | 53 | None | - | 5 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL32800 | 8410 | 53 | None | - | 5 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB01288 | 8410 | 53 | None | - | 5 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 5360696 | 8188 | 30 | None | - | 3 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 6953 | 8188 | 30 | None | - | 3 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 842 | 8188 | 30 | None | - | 3 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL52440 | 8188 | 30 | None | - | 3 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| DB00514 | 8188 | 30 | None | - | 3 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 37 | 7565 | 60 | None | -18 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 460 | 7565 | 60 | None | -18 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 54746 | 7565 | 60 | None | -18 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201087 | 7565 | 60 | None | -18 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00248 | 7565 | 60 | None | -18 | 17 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 10.1038/s41467-023-40064-9 | ||
| 25271887 | 11932 | 84 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 159 | 5 | 2 | 2 | 1.1 | CC(C)C[C@H](CN)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 5486971 | 11932 | 84 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 159 | 5 | 2 | 2 | 1.1 | CC(C)C[C@H](CN)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1059 | 11932 | 84 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 159 | 5 | 2 | 2 | 1.1 | CC(C)C[C@H](CN)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 10531 | 8202 | 21 | None | - | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 121 | 8202 | 21 | None | - | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 888 | 8202 | 21 | None | - | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1732 | 8202 | 21 | None | - | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| DB00320 | 8202 | 21 | None | - | 24 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | ||
| 3152 | 195190 | 103 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL502 | 195190 | 103 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| 242 | 7258 | 124 | None | -14 | 51 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 7258 | 124 | None | -14 | 51 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 7258 | 124 | None | -14 | 51 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 7258 | 124 | None | -14 | 51 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 7258 | 124 | None | -14 | 51 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 71109 | 84981 | 10 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 2.9 | OC(CN1CCCCC1)c1cc(-c2ccccc2)on1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105453 | 84981 | 10 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 272 | 4 | 1 | 4 | 2.9 | OC(CN1CCCCC1)c1cc(-c2ccccc2)on1 | 10.1038/s41467-023-40064-9 | ||
| 124087 | 8171 | 114 | None | - | 15 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 7157 | 8171 | 114 | None | - | 15 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 814 | 8171 | 114 | None | - | 15 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1172 | 8171 | 114 | None | - | 15 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00967 | 8171 | 114 | None | - | 15 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 2683 | 10606 | 60 | None | - | 4 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 5487 | 10606 | 60 | None | - | 4 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 7308 | 10606 | 60 | None | - | 4 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1079 | 10606 | 60 | None | - | 4 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| DB00697 | 10606 | 60 | None | - | 4 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 253 | 1 | 2 | 6 | 1.7 | Clc1ccc2c(c1NC1=NCCN1)nsn2 | 10.1038/s41467-023-40064-9 | ||
| 2176 | 9901 | 68 | None | - | 27 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 4828 | 9901 | 68 | None | - | 27 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 91 | 9901 | 68 | None | - | 27 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL500 | 9901 | 68 | None | - | 27 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00960 | 9901 | 68 | None | - | 27 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1038/s41467-023-40064-9 | ||
| 5639 | 105671 | 75 | None | -1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279229 | 105671 | 75 | None | -1 | 5 | Human | 8.4 | pAC50 | = | 8.4 | Binding | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1038/s41467-023-40064-9 | ||
| 4993 | 129135 | 110 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 2 | 4 | 2.5 | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL36 | 129135 | 110 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 2 | 4 | 2.5 | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2099 | 16079 | 55 | None | - | 1 | Human | 4.4 | pAC50 | = | 4.4 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1110 | 16079 | 55 | None | - | 1 | Human | 4.4 | pAC50 | = | 4.4 | Binding | ChEMBL | 294 | 2 | 1 | 3 | 2.4 | Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O | 10.1038/s41467-023-40064-9 | ||
| 2351 | 11072 | 49 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1008 | 11072 | 49 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1257078 | 11072 | 49 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| 135398744 | 75437 | 86 | None | - | 3 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL192 | 75437 | 86 | None | - | 3 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 474 | 7 | 1 | 8 | 1.6 | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | 10.1038/s41467-023-40064-9 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | ||
| 2378 | 105463 | 103 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 4 | 0 | 2 | 5.2 | c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL277535 | 105463 | 103 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 310 | 4 | 0 | 2 | 5.2 | c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1353 | 8692 | 93 | None | -6 | 85 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 8692 | 93 | None | -6 | 85 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 8692 | 93 | None | -6 | 85 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 8692 | 93 | None | -6 | 85 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 8692 | 93 | None | -6 | 85 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 2520 | 210787 | 70 | None | - | 12 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1280 | 210787 | 70 | None | - | 12 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6966 | 210787 | 70 | None | - | 12 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 68712 | 107114 | 60 | None | -8 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL289480 | 107114 | 60 | None | -8 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1038/s41467-023-40064-9 | ||
| 2398 | 7741 | 62 | None | 1 | 29 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2801 | 7741 | 62 | None | 1 | 29 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 701 | 7741 | 62 | None | 1 | 29 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415 | 7741 | 62 | None | 1 | 29 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB01242 | 7741 | 62 | None | 1 | 29 | Human | 7.4 | pAC50 | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 4034 | 62596 | 55 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1623 | 62596 | 55 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00737 | 62596 | 55 | None | - | 1 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4976 | 210358 | 29 | None | - | 12 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL668 | 210358 | 29 | None | - | 12 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 135 | 9310 | 43 | None | -40 | 56 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 1796 | 9310 | 43 | None | -40 | 56 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4184 | 9310 | 43 | None | -40 | 56 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6437 | 9310 | 43 | None | -40 | 56 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB06148 | 9310 | 43 | None | -40 | 56 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1038/s41467-023-40064-9 | ||
| 21722 | 24764 | 31 | None | - | 6 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL126224 | 24764 | 31 | None | - | 6 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| 3365 | 11950 | 126 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 306 | 5 | 1 | 7 | 0.7 | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL106 | 11950 | 126 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 306 | 5 | 1 | 7 | 0.7 | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 9688 | 112 | None | -39 | 65 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 47 | 9688 | 112 | None | -39 | 65 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL715 | 9688 | 112 | None | -39 | 65 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00334 | 9688 | 112 | None | -39 | 65 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 5029 | 22317 | 92 | None | - | 4 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1219 | 22317 | 92 | None | - | 4 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | ||
| 3033 | 36925 | 102 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 295 | 4 | 2 | 2 | 4.4 | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1034 | 36925 | 102 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 295 | 4 | 2 | 2 | 4.4 | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL139 | 36925 | 102 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 295 | 4 | 2 | 2 | 4.4 | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 11434515 | 7049 | 6 | None | - | 5 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 11519741 | 7049 | 6 | None | - | 5 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 4484 | 7049 | 6 | None | - | 5 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 7449 | 7049 | 6 | None | - | 5 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1194325 | 7049 | 6 | None | - | 5 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| DB08897 | 7049 | 6 | None | - | 5 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 5340 | 175509 | 106 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 255 | 3 | 2 | 5 | 1.5 | Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL437 | 175509 | 106 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 255 | 3 | 2 | 5 | 1.5 | Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1613 | 9127 | 53 | None | -2 | 44 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 9127 | 53 | None | -2 | 44 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 9127 | 53 | None | -2 | 44 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 9127 | 53 | None | -2 | 44 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 9127 | 53 | None | -2 | 44 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 1209 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 203 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3386 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00472 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5360696 | 8188 | 30 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 6953 | 8188 | 30 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 842 | 8188 | 30 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL52440 | 8188 | 30 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| DB00514 | 8188 | 30 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | 10.1038/s41467-023-40064-9 | ||
| 1209 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 203 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3386 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00472 | 8439 | 75 | None | -1 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3337 | 213146 | 27 | None | 13 | 40 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 65801 | 213146 | 27 | None | 13 | 40 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 66264 | 213146 | 27 | None | 13 | 40 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 91452 | 213146 | 27 | None | 13 | 40 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL87493 | 213146 | 27 | None | 13 | 40 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00574 | 213146 | 27 | None | 13 | 40 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 214 | 10632 | 58 | None | -9 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2740 | 10632 | 58 | None | -9 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5566 | 10632 | 58 | None | -9 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 66064 | 10632 | 58 | None | -9 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL422 | 10632 | 58 | None | -9 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00831 | 10632 | 58 | None | -9 | 30 | Human | 7.3 | pAC50 | = | 7.3 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1038/s41467-023-40064-9 | ||
| 242 | 7258 | 124 | None | -14 | 51 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 7258 | 124 | None | -14 | 51 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 7258 | 124 | None | -14 | 51 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 7258 | 124 | None | -14 | 51 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 7258 | 124 | None | -14 | 51 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 1400 | 8738 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3658 | 8738 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7199 | 8738 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 91513 | 8738 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL896 | 8738 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00557 | 8738 | 70 | None | - | 3 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 3.1 | OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 155906370 | 41564 | 70 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 129 | 0 | 4 | 2 | -1.0 | CN(C)C(=N)NC(=N)N | 10.1038/s41467-023-40064-9 | ||
| 4091 | 41564 | 70 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 129 | 0 | 4 | 2 | -1.0 | CN(C)C(=N)NC(=N)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1431 | 41564 | 70 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 129 | 0 | 4 | 2 | -1.0 | CN(C)C(=N)NC(=N)N | 10.1038/s41467-023-40064-9 | ||
| 57469 | 25638 | 125 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1282 | 25638 | 125 | None | - | 3 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | 10.1038/s41467-023-40064-9 | ||
| 2727 | 194869 | 95 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 276 | 4 | 2 | 3 | 1.7 | CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL498 | 194869 | 95 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 276 | 4 | 2 | 3 | 1.7 | CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 65866 | 101039 | 73 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 611 | 12 | 1 | 8 | 6.5 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL250270 | 101039 | 73 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 611 | 12 | 1 | 8 | 6.5 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| 2162 | 48288 | 100 | None | -3 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1491 | 48288 | 100 | None | -3 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 27447 | 66577 | 63 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 347 | 4 | 3 | 5 | 0.4 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | ||
| 6560168 | 66577 | 63 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 347 | 4 | 3 | 5 | 0.4 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1727 | 66577 | 63 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 347 | 4 | 3 | 5 | 0.4 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | ||
| 92727 | 211331 | 77 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL729 | 211331 | 77 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 1524 | 8962 | 96 | None | -5 | 51 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 197 | 8962 | 96 | None | -5 | 51 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 3822 | 8962 | 96 | None | -5 | 51 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 88 | 8962 | 96 | None | -5 | 51 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL51 | 8962 | 96 | None | -5 | 51 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB12465 | 8962 | 96 | None | -5 | 51 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 240 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 2769 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 44279790 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 660 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1729 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL560739 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| DB00604 | 7731 | 43 | None | - | 25 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | ||
| 2337 | 10030 | 77 | None | -5 | 62 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 50 | 10030 | 77 | None | -5 | 62 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5002 | 10030 | 77 | None | -5 | 62 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL716 | 10030 | 77 | None | -5 | 62 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01224 | 10030 | 77 | None | -5 | 62 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 10219 | 195575 | 37 | None | - | 5 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493439 | 195575 | 37 | None | - | 5 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL50588 | 195575 | 37 | None | - | 5 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | 10.1038/s41467-023-40064-9 | ||
| 2713 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1330113 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 212050 | 82 | None | - | 0 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2771 | 201796 | 74 | None | - | 27 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200781 | 201796 | 74 | None | - | 27 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL549 | 201796 | 74 | None | - | 27 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 212 | 10578 | 47 | None | -7 | 25 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 2639 | 10578 | 47 | None | -7 | 25 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 941651 | 10578 | 47 | None | -7 | 25 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201 | 10578 | 47 | None | -7 | 25 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01623 | 10578 | 47 | None | -7 | 25 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 1224 | 8214 | 83 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 3100 | 8214 | 83 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 8980 | 8214 | 83 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 916 | 8214 | 83 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL657 | 8214 | 83 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| DB01075 | 8214 | 83 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 39186 | 92710 | 54 | None | - | 2 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 6 | 3.4 | COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL23 | 92710 | 54 | None | - | 2 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 6 | 3.4 | COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2247 | 7293 | 81 | None | - | 42 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 7293 | 81 | None | - | 42 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 7293 | 81 | None | - | 42 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 7293 | 81 | None | - | 42 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 7293 | 81 | None | - | 42 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 5732 | 213714 | 59 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 307 | 3 | 0 | 3 | 3.2 | Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL911 | 213714 | 59 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 307 | 3 | 0 | 3 | 3.2 | Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3158 | 63041 | 27 | None | - | 20 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 63041 | 27 | None | - | 20 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| DB01142 | 63041 | 27 | None | - | 20 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 5311017 | 127382 | 11 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3545985 | 127382 | 11 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00865 | 127382 | 11 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 239 | 5 | 0 | 1 | 3.8 | C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 26987 | 7736 | 33 | None | - | 21 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 6063 | 7736 | 33 | None | - | 21 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 671 | 7736 | 33 | None | - | 21 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1626 | 7736 | 33 | None | - | 21 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| DB00283 | 7736 | 33 | None | - | 21 | Human | 8.1 | pAC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 36811 | 8236 | 37 | None | - | 7 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 535 | 8236 | 37 | None | - | 7 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 937 | 8236 | 37 | None | - | 7 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL926 | 8236 | 37 | None | - | 7 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| DB00841 | 8236 | 37 | None | - | 7 | Human | 7.2 | pAC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | ||
| 1210 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 1213 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 2725 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 33036 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 4411 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 616 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 6976 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 716121 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201353 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1554789 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL505 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| DB01114 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| DB13679 | 7705 | 51 | None | - | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 5353627 | 91316 | 8 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 411 | 8 | 3 | 4 | 4.6 | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2220442 | 91316 | 8 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 411 | 8 | 3 | 4 | 4.6 | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 9688 | 112 | None | -39 | 65 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 47 | 9688 | 112 | None | -39 | 65 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL715 | 9688 | 112 | None | -39 | 65 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00334 | 9688 | 112 | None | -39 | 65 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 38853 | 182801 | 79 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 211 | 3 | 4 | 4 | 0.4 | C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 6919173 | 182801 | 79 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 211 | 3 | 4 | 4 | 0.4 | C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL459 | 182801 | 79 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 211 | 3 | 4 | 4 | 0.4 | C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| DB00968 | 182801 | 79 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 211 | 3 | 4 | 4 | 0.4 | C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 4212 | 205458 | 82 | None | - | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1417019 | 205458 | 82 | None | - | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL58 | 205458 | 82 | None | - | 4 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
| 11626560 | 207716 | 94 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL601719 | 207716 | 94 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 16129706 | 215810 | 40 | None | - | 5 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL1823872 | 215810 | 40 | None | - | 5 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| 26987 | 7736 | 33 | None | - | 21 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 6063 | 7736 | 33 | None | - | 21 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 671 | 7736 | 33 | None | - | 21 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1626 | 7736 | 33 | None | - | 21 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| DB00283 | 7736 | 33 | None | - | 21 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | ||
| 1343 | 8670 | 62 | None | - | 9 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 3519 | 8670 | 62 | None | - | 9 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 522 | 8670 | 62 | None | - | 9 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL862 | 8670 | 62 | None | - | 9 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| DB01018 | 8670 | 62 | None | - | 9 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | 10.1038/s41467-023-40064-9 | ||
| 5472 | 212597 | 75 | None | - | 3 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1717 | 212597 | 75 | None | - | 3 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL833 | 212597 | 75 | None | - | 3 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| DB00208 | 212597 | 75 | None | - | 3 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | ||
| 1201549 | 7384 | 24 | None | - | 20 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 333 | 7384 | 24 | None | - | 20 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7601 | 7384 | 24 | None | - | 20 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201203 | 7384 | 24 | None | - | 20 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL438151 | 7384 | 24 | None | - | 20 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00245 | 7384 | 24 | None | - | 20 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 16362 | 9899 | 71 | None | -35 | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 9899 | 71 | None | -35 | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 9899 | 71 | None | -35 | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 9899 | 71 | None | -35 | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 9899 | 71 | None | -35 | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1038/s41467-023-40064-9 | ||
| 1427 | 8794 | 54 | None | - | 27 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 8794 | 54 | None | - | 27 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 8794 | 54 | None | - | 27 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 8794 | 54 | None | - | 27 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 8794 | 54 | None | - | 27 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1593 | 9119 | 66 | None | - | 4 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 30668 | 9119 | 66 | None | - | 4 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 9868 | 9119 | 66 | None | - | 4 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17860 | 9119 | 66 | None | - | 4 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| DB04948 | 9119 | 66 | None | - | 4 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 2.8 | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 10100 | 22066 | 12 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 339 | 8 | 0 | 3 | 4.3 | CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1213351 | 22066 | 12 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 339 | 8 | 0 | 3 | 4.3 | CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C | 10.1038/s41467-023-40064-9 | ||
| 191 | 7191 | 98 | None | - | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 7191 | 98 | None | - | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 7191 | 98 | None | - | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 7191 | 98 | None | - | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 7191 | 98 | None | - | 29 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 1890 | 9535 | 49 | None | -1 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 4449 | 9535 | 49 | None | -1 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 7247 | 9535 | 49 | None | -1 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL623 | 9535 | 49 | None | -1 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01149 | 9535 | 49 | None | -1 | 16 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | ||
| 71398 | 113216 | 44 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL313972 | 113216 | 44 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 19861 | 214302 | 50 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL946 | 214302 | 50 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00719 | 214302 | 50 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 290 | 0 | 0 | 2 | 3.7 | CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 9801 | 98360 | 35 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL24072 | 98360 | 35 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 65709 | 66655 | 39 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1729803 | 66655 | 39 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 2585 | 7590 | 103 | None | -9 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 522 | 7590 | 103 | None | -9 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 551 | 7590 | 103 | None | -9 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL723 | 7590 | 103 | None | -9 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| DB01136 | 7590 | 103 | None | -9 | 22 | Human | 8.0 | pAC50 | = | 8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 319 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 321 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 444031 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 72054 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 784 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1346 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| DB00496 | 8106 | 44 | None | - | 9 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1038/s41467-023-40064-9 | ||
| 3337 | 213146 | 27 | None | 13 | 40 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 65801 | 213146 | 27 | None | 13 | 40 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 66264 | 213146 | 27 | None | 13 | 40 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 91452 | 213146 | 27 | None | 13 | 40 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL87493 | 213146 | 27 | None | 13 | 40 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| DB00574 | 213146 | 27 | None | 13 | 40 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 4614 | 12163 | 103 | None | - | 0 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 293 | 5 | 1 | 3 | 4.0 | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1071 | 12163 | 103 | None | - | 0 | Human | 7.0 | pAC50 | = | 7.0 | Binding | ChEMBL | 293 | 5 | 1 | 3 | 4.0 | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 201505 | 86 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 201505 | 86 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 441074 | 26186 | 82 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1294 | 26186 | 82 | None | - | 0 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 | 10.1038/s41467-023-40064-9 | ||
| 2880 | 104784 | 49 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL27289 | 104784 | 49 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | ||
| 1499 | 8872 | 47 | None | - | 17 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 3779 | 8872 | 47 | None | - | 17 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 536 | 8872 | 47 | None | - | 17 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434 | 8872 | 47 | None | - | 17 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01064 | 8872 | 47 | None | - | 17 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | ||
| 2540 | 11173 | 111 | None | - | 4 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1014 | 11173 | 111 | None | - | 4 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3180 | 21245 | 41 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201217 | 21245 | 41 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4567 | 16720 | 34 | None | - | 0 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL114655 | 16720 | 34 | None | - | 0 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2286 | 9957 | 51 | None | - | 30 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 4927 | 9957 | 51 | None | - | 30 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7282 | 9957 | 51 | None | - | 30 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL643 | 9957 | 51 | None | - | 30 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01069 | 9957 | 51 | None | - | 30 | Human | 7.0 | pAC50 | = | 7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmc.2016.09.017 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmc.2016.09.017 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmc.2016.09.017 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmc.2016.09.017 | ||
| 132578519 | 156488 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.3 | CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3947830 | 156488 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.3 | CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 134154987 | 157611 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 438 | 9 | 1 | 5 | 3.4 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3956998 | 157611 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 438 | 9 | 1 | 5 | 3.4 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 9813756 | 15788 | 0 | None | - | 3 | Rabbit | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL109848 | 15788 | 0 | None | - | 3 | Rabbit | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 118727916 | 127472 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 2.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2015.03.009 | ||
| CHEMBL3400597 | 127472 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 2.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2015.03.009 | ||
| CHEMBL3547118 | 127472 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 2.9 | O=C1CCCN1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2015.03.009 | ||
| 134156323 | 161036 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 455 | 9 | 1 | 6 | 3.3 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cncc3ccccc23)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3986337 | 161036 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 455 | 9 | 1 | 6 | 3.3 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cncc3ccccc23)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 134148920 | 155228 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 456 | 9 | 1 | 5 | 3.6 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2F)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3937911 | 155228 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 456 | 9 | 1 | 5 | 3.6 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2F)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 9944409 | 14385 | 0 | None | - | 5 | Rabbit | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL108804 | 14385 | 0 | None | - | 5 | Rabbit | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 134151231 | 158990 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 464 | 11 | 1 | 7 | 2.8 | COc1ccc(S(=O)(=O)NCC2CCN(CCOc3ccccc3OC)CC2)cc1OC | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3968662 | 158990 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 464 | 11 | 1 | 7 | 2.8 | COc1ccc(S(=O)(=O)NCC2CCN(CCOc3ccccc3OC)CC2)cc1OC | 10.1016/j.bmc.2016.09.017 | ||
| 76326541 | 92116 | 0 | None | - | 4 | Rabbit | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261355 | 92116 | 0 | None | - | 4 | Rabbit | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 168290235 | 199747 | 0 | None | -16 | 20 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 199747 | 0 | None | -16 | 20 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 199747 | 0 | None | -16 | 20 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 9815005 | 116438 | 0 | None | - | 3 | Rabbit | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL322492 | 116438 | 0 | None | - | 3 | Rabbit | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 134148037 | 156551 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 7 | 2.5 | COc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3OC)CC2)cc1OC | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3948333 | 156551 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 7 | 2.5 | COc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3OC)CC2)cc1OC | 10.1016/j.bmc.2016.09.017 | ||
| 164612037 | 192156 | 0 | None | -4 | 20 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 192156 | 0 | None | -4 | 20 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 146762 | 20082 | 6 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 244 | 5 | 3 | 4 | 0.5 | CNCCc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm00380a017 | ||
| CHEMBL1191956 | 20082 | 6 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 244 | 5 | 3 | 4 | 0.5 | CNCCc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm00380a017 | ||
| CHEMBL543126 | 20082 | 6 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 244 | 5 | 3 | 4 | 0.5 | CNCCc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm00380a017 | ||
| 9903797 | 16211 | 5 | None | - | 4 | Rabbit | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
| CHEMBL111734 | 16211 | 5 | None | - | 4 | Rabbit | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
| 11183468 | 116649 | 2 | None | - | 6 | Rabbit | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL323402 | 116649 | 2 | None | - | 6 | Rabbit | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 9950711 | 115983 | 0 | None | - | 4 | Rabbit | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL321644 | 115983 | 0 | None | - | 4 | Rabbit | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 118727910 | 127460 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 427 | 8 | 0 | 3 | 4.1 | O=C1CCCN1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.03.009 | ||
| CHEMBL3400594 | 127460 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 427 | 8 | 0 | 3 | 4.1 | O=C1CCCN1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.03.009 | ||
| CHEMBL3547015 | 127460 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 427 | 8 | 0 | 3 | 4.1 | O=C1CCCN1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.03.009 | ||
| 134136412 | 149732 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 483 | 10 | 1 | 6 | 4.1 | CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3894175 | 149732 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 483 | 10 | 1 | 6 | 4.1 | CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 168294767 | 199798 | 0 | None | -4 | 20 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 199798 | 0 | None | -4 | 20 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 199798 | 0 | None | -4 | 20 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 9904117 | 16174 | 3 | None | - | 5 | Rabbit | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111554 | 16174 | 3 | None | - | 5 | Rabbit | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2015.03.009 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2016.09.017 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2016.09.017 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2016.09.017 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmc.2016.09.017 | ||
| 9796525 | 16179 | 0 | None | - | 3 | Rabbit | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111584 | 16179 | 0 | None | - | 3 | Rabbit | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2015.03.009 | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1016/j.bmc.2016.09.017 | ||
| 10267873 | 117437 | 0 | None | - | 2 | Rabbit | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL325897 | 117437 | 0 | None | - | 2 | Rabbit | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | ||
| 9838192 | 118089 | 18 | None | - | 6 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| CHEMBL326702 | 118089 | 18 | None | - | 6 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| 9838192 | 118089 | 18 | None | - | 6 | Rabbit | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL326702 | 118089 | 18 | None | - | 6 | Rabbit | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
| 9926529 | 16161 | 2 | None | - | 5 | Rabbit | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111496 | 16161 | 2 | None | - | 5 | Rabbit | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 9879119 | 16218 | 0 | None | - | 5 | Rabbit | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111771 | 16218 | 0 | None | - | 5 | Rabbit | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 11301627 | 16170 | 0 | None | - | 2 | Rabbit | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111537 | 16170 | 0 | None | - | 2 | Rabbit | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 43260 | 12254 | 65 | None | - | 5 | Rabbit | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL1076 | 12254 | 65 | None | - | 5 | Rabbit | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
| 43260 | 12254 | 65 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
| CHEMBL1076 | 12254 | 65 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
| 134136428 | 149920 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 456 | 9 | 1 | 5 | 3.6 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3895815 | 149920 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 456 | 9 | 1 | 5 | 3.6 | COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 168295528 | 199810 | 0 | None | -4 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 199810 | 0 | None | -4 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 199810 | 0 | None | -4 | 20 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 4038180 | 6992 | 14 | None | -6 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
| 480 | 6992 | 14 | None | -6 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
| CHEMBL109783 | 6992 | 14 | None | -6 | 8 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
| 4038180 | 6992 | 14 | None | - | 8 | Rabbit | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 480 | 6992 | 14 | None | - | 8 | Rabbit | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL109783 | 6992 | 14 | None | - | 8 | Rabbit | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 132578518 | 155431 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 441 | 8 | 1 | 6 | 3.1 | COc1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| CHEMBL3939560 | 155431 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 441 | 8 | 1 | 6 | 3.1 | COc1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1 | 10.1016/j.bmc.2016.09.017 | ||
| 3158 | 63041 | 27 | None | -295 | 20 | Rat | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL1628227 | 63041 | 27 | None | -295 | 20 | Rat | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1021/jm9910369 | ||
| DB01142 | 63041 | 27 | None | -295 | 20 | Rat | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1021/jm9910369 | ||
| 180 | 7189 | 56 | None | -10 | 40 | Rat | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 200 | 7189 | 56 | None | -10 | 40 | Rat | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 2160 | 7189 | 56 | None | -10 | 40 | Rat | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| CHEMBL629 | 7189 | 56 | None | -10 | 40 | Rat | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| DB00321 | 7189 | 56 | None | -10 | 40 | Rat | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 2398 | 7741 | 62 | None | -4 | 29 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1021/jm9910369 | ||
| 2801 | 7741 | 62 | None | -4 | 29 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1021/jm9910369 | ||
| 701 | 7741 | 62 | None | -4 | 29 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1021/jm9910369 | ||
| CHEMBL415 | 7741 | 62 | None | -4 | 29 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1021/jm9910369 | ||
| DB01242 | 7741 | 62 | None | -4 | 29 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1021/jm9910369 | ||
| 1971 | 9641 | 38 | None | -24 | 30 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1021/jm9910369 | ||
| 2404 | 9641 | 38 | None | -24 | 30 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1021/jm9910369 | ||
| 4543 | 9641 | 38 | None | -24 | 30 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1021/jm9910369 | ||
| CHEMBL445 | 9641 | 38 | None | -24 | 30 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1021/jm9910369 | ||
| DB00540 | 9641 | 38 | None | -24 | 30 | Rat | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1021/jm9910369 | ||
| 135 | 9310 | 43 | None | -46 | 56 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| 1796 | 9310 | 43 | None | -46 | 56 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| 4184 | 9310 | 43 | None | -46 | 56 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| CHEMBL6437 | 9310 | 43 | None | -46 | 56 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| DB06148 | 9310 | 43 | None | -46 | 56 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 2995 | 211184 | 53 | None | - | 23 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL1696 | 211184 | 53 | None | - | 23 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL72 | 211184 | 53 | None | - | 23 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| DB01151 | 211184 | 53 | None | - | 23 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm900458r | ||
| 11638677 | 91364 | 0 | None | -5 | 6 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2153423 | 91364 | 0 | None | -5 | 6 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2220978 | 91364 | 0 | None | -5 | 6 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| 10809876 | 109430 | 0 | None | - | 0 | Bovine | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1 | 10.1021/jm970298c | ||
| CHEMBL304438 | 109430 | 0 | None | - | 0 | Bovine | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 381 | 5 | 0 | 5 | 2.4 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCC(=O)N3C)CC1 | 10.1021/jm970298c | ||
| 76071739 | 149575 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3892879 | 149575 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 10547091 | 208877 | 0 | None | - | 0 | Bovine | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 369 | 5 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(CCc2ccc3nc(O)sc3c2)CC1 | 10.1021/jm970298c | ||
| CHEMBL60885 | 208877 | 0 | None | - | 0 | Bovine | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 369 | 5 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(CCc2ccc3nc(O)sc3c2)CC1 | 10.1021/jm970298c | ||
| 122179430 | 128219 | 0 | None | -3 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| CHEMBL3582270 | 128219 | 0 | None | -3 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 3157 | 8252 | 71 | None | -1 | 12 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.10.026 | ||
| 7170 | 8252 | 71 | None | -1 | 12 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.10.026 | ||
| 954 | 8252 | 71 | None | -1 | 12 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.10.026 | ||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.10.026 | ||
| DB00590 | 8252 | 71 | None | -1 | 12 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.10.026 | ||
| 4151 | 10379 | 89 | None | - | 3 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 493 | 10379 | 89 | None | - | 3 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 5312125 | 10379 | 89 | None | - | 3 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL24778 | 10379 | 89 | None | - | 3 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| DB06207 | 10379 | 89 | None | - | 3 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 10524876 | 210104 | 0 | None | - | 0 | Bovine | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 1 | 6 | 4.2 | COc1ccccc1N1CCN(CCCCc2ccc3nc(O)sc3c2)CC1 | 10.1021/jm970298c | ||
| CHEMBL64878 | 210104 | 0 | None | - | 0 | Bovine | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 1 | 6 | 4.2 | COc1ccccc1N1CCN(CCCCc2ccc3nc(O)sc3c2)CC1 | 10.1021/jm970298c | ||
| 2389 | 10104 | 118 | None | -6 | 66 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 10104 | 118 | None | -6 | 66 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 10104 | 118 | None | -6 | 66 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 10104 | 118 | None | -6 | 66 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 10104 | 118 | None | -6 | 66 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 10691383 | 107552 | 0 | None | - | 0 | Bovine | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 383 | 6 | 1 | 6 | 3.8 | COc1ccccc1N1CCN(CCCc2ccc3nc(O)sc3c2)CC1 | 10.1021/jm970298c | ||
| CHEMBL292935 | 107552 | 0 | None | - | 0 | Bovine | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 383 | 6 | 1 | 6 | 3.8 | COc1ccccc1N1CCN(CCCc2ccc3nc(O)sc3c2)CC1 | 10.1021/jm970298c | ||
| 19972363 | 101181 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 539 | 9 | 1 | 6 | 5.5 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC(C)C)CC3)cccc2c1=O | 10.1021/jm960697s | ||
| CHEMBL25098 | 101181 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 539 | 9 | 1 | 6 | 5.5 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OC(C)C)CC3)cccc2c1=O | 10.1021/jm960697s | ||
| 44275384 | 105586 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 529 | 7 | 1 | 5 | 5.7 | Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| CHEMBL278518 | 105586 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 529 | 7 | 1 | 5 | 5.7 | Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 19972428 | 104872 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 496 | 8 | 0 | 6 | 5.6 | COc1ccccc1N1CCN(CCCC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| CHEMBL27341 | 104872 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 496 | 8 | 0 | 6 | 5.6 | COc1ccccc1N1CCN(CCCC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| 3157 | 8252 | 71 | None | -1 | 12 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 7170 | 8252 | 71 | None | -1 | 12 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 954 | 8252 | 71 | None | -1 | 12 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| DB00590 | 8252 | 71 | None | -1 | 12 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 107715 | 207724 | 22 | None | -1 | 20 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL1255837 | 207724 | 22 | None | -1 | 20 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL601773 | 207724 | 22 | None | -1 | 20 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| 3168 | 16034 | 92 | None | 1 | 22 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1108 | 16034 | 92 | None | 1 | 22 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| DB00450 | 16034 | 92 | None | 1 | 22 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 1427 | 8794 | 54 | None | - | 27 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00172a035 | ||
| 357 | 8794 | 54 | None | - | 27 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00172a035 | ||
| 3696 | 8794 | 54 | None | - | 27 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00172a035 | ||
| CHEMBL11 | 8794 | 54 | None | - | 27 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00172a035 | ||
| DB00458 | 8794 | 54 | None | - | 27 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00172a035 | ||
| 9821397 | 107698 | 21 | None | - | 0 | Bovine | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 383 | 5 | 0 | 6 | 3.0 | COc1ccccc1N1CCN(CCc2ccc3c(c2)sc(=O)n3C)CC1 | 10.1021/jm970298c | ||
| CHEMBL293923 | 107698 | 21 | None | - | 0 | Bovine | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 383 | 5 | 0 | 6 | 3.0 | COc1ccccc1N1CCN(CCc2ccc3c(c2)sc(=O)n3C)CC1 | 10.1021/jm970298c | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2016.04.087 | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2016.04.087 | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2016.04.087 | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2016.04.087 | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2016.04.087 | ||
| 19972481 | 100284 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 498 | 9 | 0 | 6 | 5.8 | COc1ccccc1N1CCN(CCCCOc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| CHEMBL24629 | 100284 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 498 | 9 | 0 | 6 | 5.8 | COc1ccccc1N1CCN(CCCCOc2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| 119146 | 103926 | 18 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 409 | 6 | 0 | 4 | 3.6 | CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL267932 | 103926 | 18 | None | - | 4 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 409 | 6 | 0 | 4 | 3.6 | CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O | 10.1021/acs.jmedchem.2c00633 | ||
| 10409553 | 25680 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 3.1 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccc3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1203299 | 25680 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 3.1 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccc3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL128451 | 25680 | 0 | None | - | 0 | Bovine | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 3.1 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccc3)CC1)O2 | 10.1021/jm00099a028 | ||
| 11198145 | 16587 | 2 | None | 1 | 5 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/jm990199u | ||
| CHEMBL113830 | 16587 | 2 | None | 1 | 5 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/jm990199u | ||
| 13520310 | 170618 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.7 | CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL420644 | 170618 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.7 | CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 10072866 | 204254 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 458 | 9 | 0 | 6 | 3.3 | CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL51561 | 204254 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 458 | 9 | 0 | 6 | 3.3 | CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL56990 | 204254 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 458 | 9 | 0 | 6 | 3.3 | CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10478362 | 26872 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 5 | 1 | 6 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(C#N)cc3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1203297 | 26872 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 5 | 1 | 6 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(C#N)cc3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL130410 | 26872 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 5 | 1 | 6 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(C#N)cc3)CC1)O2 | 10.1021/jm00099a028 | ||
| 10048445 | 42051 | 4 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 432 | 5 | 1 | 3 | 4.6 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1=CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL143617 | 42051 | 4 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 432 | 5 | 1 | 3 | 4.6 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1=CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| 10391177 | 196033 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 497 | 7 | 0 | 4 | 4.0 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL511747 | 196033 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 497 | 7 | 0 | 4 | 4.0 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O | 10.1016/j.bmcl.2009.04.016 | ||
| 9978353 | 18025 | 0 | None | - | 0 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.1 | COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 | 10.1021/jm00038a007 | ||
| CHEMBL1178987 | 18025 | 0 | None | - | 0 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.1 | COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 | 10.1021/jm00038a007 | ||
| CHEMBL52785 | 18025 | 0 | None | - | 0 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.1 | COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2 | 10.1021/jm00038a007 | ||
| 11743327 | 105478 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 428 | 8 | 1 | 5 | 3.9 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL27763 | 105478 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 428 | 8 | 1 | 5 | 3.9 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
| 9975915 | 106512 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 2.8 | CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL284912 | 106512 | 0 | None | - | 1 | Bovine | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 2.8 | CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 11524225 | 195778 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 403 | 4 | 0 | 5 | 4.3 | Cc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12 | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL508712 | 195778 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 403 | 4 | 0 | 5 | 4.3 | Cc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12 | 10.1016/j.bmcl.2008.10.034 | ||
| 131001 | 105769 | 7 | None | - | 1 | Bovine | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | CCCN(CCC)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL27995 | 105769 | 7 | None | - | 1 | Bovine | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 249 | 5 | 1 | 3 | 2.8 | CCCN(CCC)C1COc2cccc(O)c2C1 | 10.1021/jm00038a007 | ||
| 10364722 | 105861 | 0 | None | - | 1 | Bovine | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL280608 | 105861 | 0 | None | - | 1 | Bovine | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL51888 | 105861 | 0 | None | - | 1 | Bovine | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 418 | 9 | 1 | 5 | 3.0 | CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10199052 | 214733 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL97044 | 214733 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 3158 | 63041 | 27 | None | -295 | 20 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 63041 | 27 | None | -295 | 20 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| DB01142 | 63041 | 27 | None | -295 | 20 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 11108001 | 17644 | 2 | None | -3 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117248 | 17644 | 2 | None | -3 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL540542 | 17644 | 2 | None | -3 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 12488 | 8438 | 56 | None | -77 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 8438 | 56 | None | -77 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 8438 | 56 | None | -77 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 8438 | 56 | None | -77 | 23 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 5656 | 209845 | 87 | None | - | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL637 | 209845 | 87 | None | - | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| 134551 | 7146 | 27 | None | -3 | 21 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 271 | 7146 | 27 | None | -3 | 21 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 885 | 7146 | 27 | None | -3 | 21 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| CHEMBL1403281 | 7146 | 27 | None | -3 | 21 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 9870 | 58 | None | -2 | 37 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 73453 | 36389 | 24 | None | -6 | 17 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| CHEMBL1385840 | 36389 | 24 | None | -6 | 17 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| 10094822 | 171667 | 4 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.8 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL422130 | 171667 | 4 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.8 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 | 10.1021/jm00104a007 | ||
| 10595604 | 120914 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 374 | 5 | 0 | 4 | 4.1 | Fc1ccc(-n2cc(OCCN3CCOCC3)c3cc(Cl)ccc32)cc1 | 10.1021/jm960159f | ||
| CHEMBL332913 | 120914 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 374 | 5 | 0 | 4 | 4.1 | Fc1ccc(-n2cc(OCCN3CCOCC3)c3cc(Cl)ccc32)cc1 | 10.1021/jm960159f | ||
| 36811 | 8236 | 37 | None | -2 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 535 | 8236 | 37 | None | -2 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 937 | 8236 | 37 | None | -2 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| CHEMBL926 | 8236 | 37 | None | -2 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| DB00841 | 8236 | 37 | None | -2 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 11668594 | 193453 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 405 | 7 | 0 | 5 | 4.9 | CC(C)n1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL488251 | 193453 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 405 | 7 | 0 | 5 | 4.9 | CC(C)n1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 44376958 | 64253 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165796 | 64253 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| 22120332 | 62819 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162490 | 62819 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 3.4 | COc1cccn2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc12 | 10.1016/s0960-894x(99)00591-0 | ||
| 10015132 | 170648 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL420683 | 170648 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44573964 | 185433 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 483 | 7 | 0 | 4 | 4.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL467668 | 185433 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 483 | 7 | 0 | 4 | 4.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1 | 10.1016/j.bmcl.2009.04.016 | ||
| 213 | 10625 | 55 | None | -4 | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 10625 | 55 | None | -4 | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 10625 | 55 | None | -4 | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 10625 | 55 | None | -4 | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 10625 | 55 | None | -4 | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 10503470 | 171102 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 444 | 9 | 1 | 4 | 4.1 | CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL421239 | 171102 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 444 | 9 | 1 | 4 | 4.1 | CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 127049863 | 147030 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 8 | 1 | 5 | 4.5 | CNC(=O)c1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1F | 10.1016/j.bmcl.2016.04.087 | ||
| CHEMBL3805518 | 147030 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 8 | 1 | 5 | 4.5 | CNC(=O)c1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1F | 10.1016/j.bmcl.2016.04.087 | ||
| 240 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 2769 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 44279790 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 660 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL1729 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL560739 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| DB00604 | 7731 | 43 | None | -4 | 25 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 85469808 | 143408 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3739900 | 143408 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 42 | 8844 | 57 | None | - | 18 | Bovine | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| 56971 | 8844 | 57 | None | - | 18 | Bovine | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| CHEMBL8412 | 8844 | 57 | None | - | 18 | Bovine | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| 4735 | 201894 | 96 | None | -77 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 201894 | 96 | None | -77 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 201894 | 96 | None | -77 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 102 | 10899 | 48 | None | -1258 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 3659 | 10899 | 48 | None | -1258 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 8969 | 10899 | 48 | None | -1258 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| CHEMBL15245 | 10899 | 48 | None | -1258 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| DB01392 | 10899 | 48 | None | -1258 | 49 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 13520332 | 11066 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 5 | 1 | 3 | 2.6 | COc1ccc(C(CN(C)C)C2(O)CCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL100774 | 11066 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 263 | 5 | 1 | 3 | 2.6 | COc1ccc(C(CN(C)C)C2(O)CCCC2)cc1 | 10.1021/jm00172a035 | ||
| 85469757 | 143517 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3740874 | 143517 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | ||
| 44362511 | 126126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL344294 | 126126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10829244 | 23280 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 316 | 4 | 0 | 2 | 4.5 | CN(C)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 | 10.1021/jm960159f | ||
| CHEMBL123640 | 23280 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 316 | 4 | 0 | 2 | 4.5 | CN(C)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 | 10.1021/jm960159f | ||
| 10265758 | 11250 | 4 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.7 | CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL101899 | 11250 | 4 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.7 | CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 2995 | 211184 | 53 | None | - | 23 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm00172a035 | ||
| CHEMBL1696 | 211184 | 53 | None | - | 23 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm00172a035 | ||
| CHEMBL72 | 211184 | 53 | None | - | 23 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm00172a035 | ||
| DB01151 | 211184 | 53 | None | - | 23 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm00172a035 | ||
| 11689687 | 198058 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 391 | 7 | 0 | 5 | 4.3 | CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL519067 | 198058 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 391 | 7 | 0 | 5 | 4.3 | CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 45485061 | 205533 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 5 | 2 | 5 | 5.0 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL583014 | 205533 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 5 | 2 | 5 | 5.0 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| 441383 | 27105 | 57 | None | -257 | 17 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 27105 | 57 | None | -257 | 17 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 1343 | 8670 | 62 | None | -87 | 9 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 8670 | 62 | None | -87 | 9 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 8670 | 62 | None | -87 | 9 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 8670 | 62 | None | -87 | 9 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 8670 | 62 | None | -87 | 9 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 72197484 | 109271 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
| CHEMBL2393243 | 109271 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
| CHEMBL3040324 | 109271 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 330 | 4 | 2 | 4 | 3.5 | c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 | 10.1016/j.ejmech.2013.02.020 | ||
| 10645487 | 22529 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 3.9 | CN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL122269 | 22529 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 3.9 | CN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 10788685 | 125238 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 4.3 | CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL341229 | 125238 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 4.3 | CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 19972519 | 101023 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 497 | 7 | 1 | 6 | 4.3 | COc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| CHEMBL25012 | 101023 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 497 | 7 | 1 | 6 | 4.3 | COc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 | 10.1021/jm960697s | ||
| 180 | 7189 | 56 | None | -10 | 40 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 7189 | 56 | None | -10 | 40 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 7189 | 56 | None | -10 | 40 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 7189 | 56 | None | -10 | 40 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 7189 | 56 | None | -10 | 40 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 85469809 | 143479 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3740558 | 143479 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 10381889 | 113846 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
| CHEMBL315772 | 113846 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
| 10381889 | 113846 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL315772 | 113846 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 5656 | 209845 | 87 | None | - | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL637 | 209845 | 87 | None | - | 43 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| 1201549 | 7384 | 24 | None | -51 | 20 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 7384 | 24 | None | -51 | 20 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 7384 | 24 | None | -51 | 20 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 7384 | 24 | None | -51 | 20 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 7384 | 24 | None | -51 | 20 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 7384 | 24 | None | -51 | 20 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 6075 | 156887 | 42 | None | -11 | 16 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 156887 | 42 | None | -11 | 16 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 11796106 | 22352 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 3.9 | CN(CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL122113 | 22352 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 3.9 | CN(CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 85469811 | 143662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3742198 | 143662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 9886555 | 23267 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 5 | 0 | 4 | 4.0 | CN1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 | 10.1021/jm960159f | ||
| CHEMBL123584 | 23267 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 5 | 0 | 4 | 4.0 | CN1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 | 10.1021/jm960159f | ||
| 13520317 | 11122 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1cccc(C(CN(C)C)C2(O)CCCCC2)c1 | 10.1021/jm00172a035 | ||
| CHEMBL101055 | 11122 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1cccc(C(CN(C)C)C2(O)CCCCC2)c1 | 10.1021/jm00172a035 | ||
| 160023 | 26220 | 7 | None | - | 0 | Bovine | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 456 | 5 | 1 | 8 | 2.6 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1204345 | 26220 | 7 | None | - | 0 | Bovine | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 456 | 5 | 1 | 8 | 2.6 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL129583 | 26220 | 7 | None | - | 0 | Bovine | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 456 | 5 | 1 | 8 | 2.6 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| 10255678 | 124149 | 0 | None | - | 0 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 507 | 7 | 2 | 7 | 2.5 | CS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1 | 10.1021/jm00099a028 | ||
| CHEMBL1203296 | 124149 | 0 | None | - | 0 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 507 | 7 | 2 | 7 | 2.5 | CS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1 | 10.1021/jm00099a028 | ||
| CHEMBL339769 | 124149 | 0 | None | - | 0 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 507 | 7 | 2 | 7 | 2.5 | CS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1 | 10.1021/jm00099a028 | ||
| 85469698 | 143604 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3741658 | 143604 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 5282322 | 85019 | 21 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 785 | 11 | 4 | 15 | 2.4 | CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O | nan | ||
| CHEMBL2106399 | 85019 | 21 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 785 | 11 | 4 | 15 | 2.4 | CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O | nan | ||
| 135398737 | 7745 | 93 | None | - | 90 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm970298c | ||
| 38 | 7745 | 93 | None | - | 90 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm970298c | ||
| 722 | 7745 | 93 | None | - | 90 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm970298c | ||
| CHEMBL42 | 7745 | 93 | None | - | 90 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm970298c | ||
| DB00363 | 7745 | 93 | None | - | 90 | Bovine | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm970298c | ||
| 2477 | 7532 | 59 | None | - | 29 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| 36 | 7532 | 59 | None | - | 29 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| 437 | 7532 | 59 | None | - | 29 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| CHEMBL49 | 7532 | 59 | None | - | 29 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| DB00490 | 7532 | 59 | None | - | 29 | Bovine | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1021/jm00038a007 | ||
| 10246054 | 113321 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 330 | 2 | 0 | 3 | 3.7 | CN(C)CC1CC2c3cc(F)ccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL314107 | 113321 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 330 | 2 | 0 | 3 | 3.7 | CN(C)CC1CC2c3cc(F)ccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 44343410 | 18327 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL118055 | 18327 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 10592734 | 23853 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 4.4 | CN(C)CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL125483 | 23853 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 4.4 | CN(C)CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 8459 | 10071 | 4 | None | - | 3 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | ||
| 9891980 | 10071 | 4 | None | - | 3 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | ||
| CHEMBL430717 | 10071 | 4 | None | - | 3 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | ||
| 242 | 7258 | 124 | None | -14 | 51 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2016.04.087 | ||
| 34 | 7258 | 124 | None | -14 | 51 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2016.04.087 | ||
| 60795 | 7258 | 124 | None | -14 | 51 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2016.04.087 | ||
| CHEMBL1112 | 7258 | 124 | None | -14 | 51 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2016.04.087 | ||
| DB01238 | 7258 | 124 | None | -14 | 51 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1016/j.bmcl.2016.04.087 | ||
| 10544602 | 124247 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 4.4 | CN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 | 10.1021/jm960159f | ||
| CHEMBL339919 | 124247 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 4.4 | CN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 | 10.1021/jm960159f | ||
| 10739024 | 76608 | 0 | None | -33 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19376 | 76608 | 0 | None | -33 | 6 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 2771 | 201796 | 74 | None | -8 | 27 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL1200781 | 201796 | 74 | None | -8 | 27 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL549 | 201796 | 74 | None | -8 | 27 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| 10518508 | 108829 | 1 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 302 | 3 | 0 | 2 | 4.5 | CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL301956 | 108829 | 1 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 302 | 3 | 0 | 2 | 4.5 | CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 11502343 | 192929 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 8 | 0 | 5 | 4.7 | CCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL487230 | 192929 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 8 | 0 | 5 | 4.7 | CCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 10477439 | 42780 | 4 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.2 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(F)ccc32)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL144318 | 42780 | 4 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.2 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(F)ccc32)CC1 | 10.1021/jm00104a007 | ||
| 10426286 | 126131 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 322 | 2 | 0 | 2 | 5.0 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(C)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL344335 | 126131 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 322 | 2 | 0 | 2 | 5.0 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(C)CC1 | 10.1021/jm00104a007 | ||
| 10254306 | 127653 | 4 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 474 | 5 | 1 | 3 | 5.1 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL355917 | 127653 | 4 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 474 | 5 | 1 | 3 | 5.1 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1 | 10.1021/jm00104a007 | ||
| 13520327 | 215144 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 355 | 5 | 1 | 3 | 3.8 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1Br | 10.1021/jm00172a035 | ||
| CHEMBL99503 | 215144 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 355 | 5 | 1 | 3 | 3.8 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1Br | 10.1021/jm00172a035 | ||
| 19426635 | 212372 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 280 | 2 | 1 | 3 | 3.1 | CNCC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL81485 | 212372 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 280 | 2 | 1 | 3 | 3.1 | CNCC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 22493269 | 53600 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154023 | 53600 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 22493289 | 56462 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156661 | 56462 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9934955 | 79051 | 0 | None | -489 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19826 | 79051 | 0 | None | -489 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 25014630 | 90314 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| CHEMBL2203713 | 90314 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| 44461606 | 112772 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.8 | CN(C)CCC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL313189 | 112772 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 308 | 3 | 0 | 3 | 3.8 | CN(C)CCC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 10073934 | 194269 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 3.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1cncn1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL494155 | 194269 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 3.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1cncn1 | 10.1016/j.bmcl.2009.04.016 | ||
| 44573932 | 194270 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 482 | 7 | 0 | 7 | 2.9 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1cnnn1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL494156 | 194270 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 482 | 7 | 0 | 7 | 2.9 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1cnnn1 | 10.1016/j.bmcl.2009.04.016 | ||
| 1547484 | 7727 | 74 | None | -125 | 20 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 7727 | 74 | None | -125 | 20 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 7727 | 74 | None | -125 | 20 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 7727 | 74 | None | -125 | 20 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 7727 | 74 | None | -125 | 20 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 10345121 | 194232 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 3.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1ccnn1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL493967 | 194232 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 3.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1ccnn1 | 10.1016/j.bmcl.2009.04.016 | ||
| 2105 | 9828 | 37 | None | -288 | 32 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 47811 | 9828 | 37 | None | -288 | 32 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 48 | 9828 | 37 | None | -288 | 32 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| CHEMBL531 | 9828 | 37 | None | -288 | 32 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| DB01186 | 9828 | 37 | None | -288 | 32 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 448537 | 167029 | 89 | None | -1584 | 25 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 167029 | 89 | None | -1584 | 25 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 9837963 | 69745 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17851 | 69745 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 148842 | 10718 | 27 | None | -8 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
| 496 | 10718 | 27 | None | -8 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
| CHEMBL278865 | 10718 | 27 | None | -8 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
| 85469933 | 143426 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3740019 | 143426 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 56961506 | 128217 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 544 | 5 | 2 | 13 | 1.6 | COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| CHEMBL3582269 | 128217 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 544 | 5 | 2 | 13 | 1.6 | COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| 137380627 | 169445 | 3 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 772 | 17 | 2 | 14 | 4.7 | COc1cc2nc(N3CCN(C(=O)CCCCCCCCCCC(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.10.026 | ||
| CHEMBL4170029 | 169445 | 3 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 772 | 17 | 2 | 14 | 4.7 | COc1cc2nc(N3CCN(C(=O)CCCCCCCCCCC(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.10.026 | ||
| 1353 | 8692 | 93 | None | - | 85 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970298c | ||
| 3559 | 8692 | 93 | None | - | 85 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970298c | ||
| 86 | 8692 | 93 | None | - | 85 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970298c | ||
| CHEMBL54 | 8692 | 93 | None | - | 85 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970298c | ||
| DB00502 | 8692 | 93 | None | - | 85 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970298c | ||
| 10573576 | 207211 | 0 | None | - | 0 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 409 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCCc2ccc3c(c2)OCC(=O)N3C)CC1 | 10.1021/jm970298c | ||
| CHEMBL59823 | 207211 | 0 | None | - | 0 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 409 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCCc2ccc3c(c2)OCC(=O)N3C)CC1 | 10.1021/jm970298c | ||
| 10671211 | 209506 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 4.8 | Cn1c(=O)sc2cc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| CHEMBL61818 | 209506 | 0 | None | - | 0 | Bovine | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 4.8 | Cn1c(=O)sc2cc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| 10319624 | 105763 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 4.1 | CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL27991 | 105763 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 4.1 | CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL298534 | 105763 | 0 | None | - | 1 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 4.1 | CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10265863 | 200103 | 0 | None | - | 0 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 283 | 5 | 0 | 2 | 4.3 | CCCN(CCC)C1COc2ccc3ccccc3c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL52438 | 200103 | 0 | None | - | 0 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 283 | 5 | 0 | 2 | 4.3 | CCCN(CCC)C1COc2ccc3ccccc3c2C1 | 10.1021/jm00038a007 | ||
| 9934955 | 79051 | 0 | None | -165 | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19826 | 79051 | 0 | None | -165 | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 121852 | 16938 | 7 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL11592 | 16938 | 7 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL301060 | 16938 | 7 | None | - | 1 | Bovine | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 44376975 | 62760 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162436 | 62760 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.6 | O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12 | 10.1016/s0960-894x(99)00591-0 | ||
| 9903313 | 179457 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL450018 | 179457 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 14739944 | 215179 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 261 | 4 | 1 | 2 | 3.3 | Cc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL99670 | 215179 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 261 | 4 | 1 | 2 | 3.3 | Cc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| 2520 | 210787 | 70 | None | -147 | 12 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1280 | 210787 | 70 | None | -147 | 12 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL6966 | 210787 | 70 | None | -147 | 12 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 3198 | 212292 | 76 | None | -1698 | 34 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 212292 | 76 | None | -1698 | 34 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 212292 | 76 | None | -1698 | 34 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 9951544 | 64150 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165181 | 64150 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 3.8 | Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 10198532 | 214475 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95523 | 214475 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11581337 | 193451 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 6 | 0 | 5 | 3.5 | Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL488248 | 193451 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 6 | 0 | 5 | 3.5 | Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL557214 | 193451 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 6 | 0 | 5 | 3.5 | Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 2351 | 10059 | 64 | None | -138 | 21 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 10059 | 64 | None | -138 | 21 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 10059 | 64 | None | -138 | 21 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 10059 | 64 | None | -138 | 21 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 10059 | 64 | None | -138 | 21 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 1016 | 10519 | 78 | None | -1737 | 35 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 10519 | 78 | None | -1737 | 35 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 10519 | 78 | None | -1737 | 35 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 10519 | 78 | None | -1737 | 35 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 10519 | 78 | None | -1737 | 35 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 10519 | 78 | None | -1737 | 35 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 44329797 | 114883 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL319553 | 114883 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 135 | 9310 | 43 | None | -46 | 56 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 9310 | 43 | None | -46 | 56 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 9310 | 43 | None | -46 | 56 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 9310 | 43 | None | -46 | 56 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 9310 | 43 | None | -46 | 56 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 85469870 | 143428 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3740042 | 143428 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 85469934 | 143513 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3740847 | 143513 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 10834872 | 22337 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 3.9 | CN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL122018 | 22337 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 3.9 | CN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 1588 | 9105 | 27 | None | -26 | 44 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 9105 | 27 | None | -26 | 44 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 9105 | 27 | None | -26 | 44 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 9105 | 27 | None | -26 | 44 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 9105 | 27 | None | -26 | 44 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 10047772 | 43445 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 420 | 5 | 1 | 3 | 4.4 | Cc1cccc2c(-c3ccc(F)cc3)cn(C3CCN(CCN4CCNC4=O)CC3)c12 | 10.1021/jm00104a007 | ||
| CHEMBL144901 | 43445 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 420 | 5 | 1 | 3 | 4.4 | Cc1cccc2c(-c3ccc(F)cc3)cn(C3CCN(CCN4CCNC4=O)CC3)c12 | 10.1021/jm00104a007 | ||
| 44573821 | 199512 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 503 | 6 | 0 | 2 | 6.8 | Cc1ccc(N(C(=O)N(C)CCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL522037 | 199512 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 503 | 6 | 0 | 2 | 6.8 | Cc1ccc(N(C(=O)N(C)CCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| 3082597 | 106335 | 8 | None | - | 1 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL283606 | 106335 | 8 | None | - | 1 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 11753909 | 25740 | 0 | None | - | 0 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 5 | 2 | 8 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1203301 | 25740 | 0 | None | - | 0 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 5 | 2 | 8 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL128745 | 25740 | 0 | None | - | 0 | Bovine | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 5 | 2 | 8 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(O)CC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| 9845791 | 126009 | 4 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 434 | 5 | 1 | 3 | 4.7 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL343444 | 126009 | 4 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 434 | 5 | 1 | 3 | 4.7 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| 44376954 | 62514 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162232 | 62514 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 4.0 | Cc1cc(C)n2c(=O)c(CCN3CCc4oc5ccccc5c4C3)c(C)nc2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| 2247 | 7293 | 81 | None | -5 | 42 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 7293 | 81 | None | -5 | 42 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 7293 | 81 | None | -5 | 42 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 7293 | 81 | None | -5 | 42 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 7293 | 81 | None | -5 | 42 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 1212 | 8443 | 50 | None | -19 | 65 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 8443 | 50 | None | -19 | 65 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 8443 | 50 | None | -19 | 65 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 8443 | 50 | None | -19 | 65 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 8443 | 50 | None | -19 | 65 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 9931837 | 125951 | 4 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 5 | 1 | 3 | 4.3 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1=CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL343034 | 125951 | 4 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 5 | 1 | 3 | 4.3 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1=CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| 44563063 | 192804 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 439 | 7 | 0 | 5 | 5.3 | O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1-c1ccccc1 | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL487060 | 192804 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 439 | 7 | 0 | 5 | 5.3 | O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1-c1ccccc1 | 10.1016/j.bmcl.2008.10.034 | ||
| 277 | 8083 | 62 | None | -117 | 50 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 8083 | 62 | None | -117 | 50 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 8083 | 62 | None | -117 | 50 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 8083 | 62 | None | -117 | 50 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 8083 | 62 | None | -117 | 50 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 44376900 | 63042 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162826 | 63042 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 375 | 3 | 1 | 6 | 3.1 | Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 11292933 | 63168 | 45 | None | - | 9 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| CHEMBL1631540 | 63168 | 45 | None | - | 9 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 415 | 5 | 1 | 4 | 3.4 | Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1 | 10.1021/jm100714c | ||
| 22493258 | 105440 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL277375 | 105440 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 73603034 | 132730 | 29 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 4 | 3 | 8 | 2.9 | Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1 | 10.1021/acs.jmedchem.8b01857 | ||
| CHEMBL3648680 | 132730 | 29 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 4 | 3 | 8 | 2.9 | Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1 | 10.1021/acs.jmedchem.8b01857 | ||
| 44376993 | 63258 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL163247 | 63258 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 427 | 3 | 0 | 5 | 4.7 | Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 14739954 | 115887 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 3.8 | CN(C)CC(c1ccccc1Br)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL321364 | 115887 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 3.8 | CN(C)CC(c1ccccc1Br)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 3191 | 109635 | 97 | None | -204 | 25 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 109635 | 97 | None | -204 | 25 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| DB11742 | 109635 | 97 | None | -204 | 25 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 2812 | 11551 | 101 | None | -2238 | 34 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 11551 | 101 | None | -2238 | 34 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 10341964 | 39844 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 5 | 1 | 3 | 4.3 | Cc1cccc2c(-c3ccc(F)cc3)cn(C3=CCN(CCN4CCNC4=O)CC3)c12 | 10.1021/jm00104a007 | ||
| CHEMBL141667 | 39844 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 5 | 1 | 3 | 4.3 | Cc1cccc2c(-c3ccc(F)cc3)cn(C3=CCN(CCN4CCNC4=O)CC3)c12 | 10.1021/jm00104a007 | ||
| 44269124 | 35591 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL13789 | 35591 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10427137 | 42824 | 4 | None | -1 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 2 | 5.3 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL144362 | 42824 | 4 | None | -1 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 2 | 5.3 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1 | 10.1021/jm00104a007 | ||
| 127046693 | 146445 | 0 | None | -2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | ||
| CHEMBL3797887 | 146445 | 0 | None | -2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | ||
| CHEMBL4762646 | 146445 | 0 | None | -2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | ||
| 1935 | 10506 | 97 | None | -190 | 6 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 2551 | 10506 | 97 | None | -190 | 6 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 6687 | 10506 | 97 | None | -190 | 6 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| CHEMBL95 | 10506 | 97 | None | -190 | 6 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| DB00382 | 10506 | 97 | None | -190 | 6 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 45485062 | 203947 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL567993 | 203947 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 367 | 5 | 2 | 5 | 3.3 | Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1 | 10.1016/j.bmcl.2009.09.003 | ||
| 9956013 | 44411 | 4 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 462 | 6 | 0 | 3 | 5.5 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCN(C(C)C)C2=O)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL145712 | 44411 | 4 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 462 | 6 | 0 | 3 | 5.5 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCN(C(C)C)C2=O)CC1 | 10.1021/jm00104a007 | ||
| 44377007 | 63922 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL164612 | 63922 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 9795167 | 114271 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL318544 | 114271 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 10399043 | 126940 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL351542 | 126940 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 3151 | 8244 | 97 | None | -147 | 26 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 8244 | 97 | None | -147 | 26 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 8244 | 97 | None | -147 | 26 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 8244 | 97 | None | -147 | 26 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 8244 | 97 | None | -147 | 26 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 22120322 | 62695 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162370 | 62695 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1 | 10.1016/s0960-894x(99)00591-0 | ||
| 12575 | 8769 | 30 | None | - | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| 54459 | 8769 | 30 | None | - | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL10316 | 8769 | 30 | None | - | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| DB12551 | 8769 | 30 | None | - | 17 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1016/s0960-894x(99)00591-0 | ||
| 11516386 | 192810 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 3.9 | Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL487064 | 192810 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 3.9 | Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 2435 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 60149 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 98 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL12713 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm960159f | ||
| DB06144 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 2435 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm00104a007 | ||
| 60149 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm00104a007 | ||
| 98 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm00104a007 | ||
| CHEMBL12713 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm00104a007 | ||
| DB06144 | 10362 | 83 | None | - | 48 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm00104a007 | ||
| 56961460 | 128216 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 477 | 4 | 2 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| CHEMBL3582268 | 128216 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 477 | 4 | 2 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| 10809238 | 207920 | 0 | None | - | 0 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 371 | 4 | 0 | 5 | 3.1 | Cn1c(=O)sc2cc(CCN3CCN(c4ccc(F)cc4)CC3)ccc21 | 10.1021/jm970298c | ||
| CHEMBL60318 | 207920 | 0 | None | - | 0 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 371 | 4 | 0 | 5 | 3.1 | Cn1c(=O)sc2cc(CCN3CCN(c4ccc(F)cc4)CC3)ccc21 | 10.1021/jm970298c | ||
| 10501785 | 209507 | 0 | None | - | 0 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 411 | 7 | 0 | 6 | 3.8 | COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3C)CC1 | 10.1021/jm970298c | ||
| CHEMBL61819 | 209507 | 0 | None | - | 0 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 411 | 7 | 0 | 6 | 3.8 | COc1ccccc1N1CCN(CCCCc2ccc3c(c2)sc(=O)n3C)CC1 | 10.1021/jm970298c | ||
| 10718277 | 210041 | 0 | None | - | 0 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 447 | 6 | 0 | 4 | 4.2 | CN1C(=O)COc2cc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| CHEMBL64610 | 210041 | 0 | None | - | 0 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 447 | 6 | 0 | 4 | 4.2 | CN1C(=O)COc2cc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| 85469932 | 143564 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3741318 | 143564 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 1305 | 7299 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 9934033 | 7299 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL182150 | 7299 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 138753277 | 184074 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | ||
| CHEMBL4636550 | 184074 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 303 | 1 | 2 | 3 | 3.3 | Cc1cc(Br)c(NC2=NCCN2)c2ccccc12 | 10.1021/acs.jmedchem.9b01870 | ||
| 13520336 | 11123 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 1 | 3 | 3.4 | COc1ccc(C(CN(C)C)C2(O)CCCCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL101056 | 11123 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 1 | 3 | 3.4 | COc1ccc(C(CN(C)C)C2(O)CCCCCC2)cc1 | 10.1021/jm00172a035 | ||
| 3501942 | 16237 | 55 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 5 | 2 | 3 | 2.7 | CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL1119 | 16237 | 55 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 5 | 2 | 3 | 2.7 | CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL1628258 | 16237 | 55 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 5 | 2 | 3 | 2.7 | CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 13520306 | 215014 | 12 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 247 | 4 | 1 | 2 | 3.0 | CN(C)CC(c1ccccc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL98660 | 215014 | 12 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 247 | 4 | 1 | 2 | 3.0 | CN(C)CC(c1ccccc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 10251234 | 18017 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1178932 | 18017 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL50530 | 18017 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10476735 | 20503 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 3.5 | CCCN(CCCCn1c(=O)oc2cccnc21)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1195096 | 20503 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 3.5 | CCCN(CCCCn1c(=O)oc2cccnc21)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL553833 | 20503 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 3.5 | CCCN(CCCCn1c(=O)oc2cccnc21)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 9981024 | 102872 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL26018 | 102872 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL300735 | 102872 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 9980269 | 105859 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 5 | 3.4 | CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL280586 | 105859 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 5 | 3.4 | CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL54266 | 105859 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 5 | 3.4 | CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10342423 | 106245 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 11 | 1 | 5 | 3.9 | CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL28312 | 106245 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 11 | 1 | 5 | 3.9 | CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL48925 | 106245 | 0 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 11 | 1 | 5 | 3.9 | CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10366072 | 123675 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 442 | 5 | 1 | 7 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1203300 | 123675 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 442 | 5 | 1 | 7 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL338361 | 123675 | 0 | None | - | 0 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 442 | 5 | 1 | 7 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(CCc3ccc4nonc4c3)CC1)O2 | 10.1021/jm00099a028 | ||
| 23027245 | 203907 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL567791 | 203907 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 3.7 | Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)cc3)CC2)n1 | 10.1016/j.bmcl.2009.09.003 | ||
| 1220 | 6975 | 55 | None | - | 44 | Bovine | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
| 31 | 6975 | 55 | None | - | 44 | Bovine | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
| 7 | 6975 | 55 | None | - | 44 | Bovine | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
| CHEMBL56 | 6975 | 55 | None | - | 44 | Bovine | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm00038a007 | ||
| 44343257 | 17272 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL116700 | 17272 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| 1971 | 9641 | 38 | None | -24 | 30 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 2404 | 9641 | 38 | None | -24 | 30 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4543 | 9641 | 38 | None | -24 | 30 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL445 | 9641 | 38 | None | -24 | 30 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| DB00540 | 9641 | 38 | None | -24 | 30 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 10497675 | 22869 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 6 | 0 | 2 | 5.3 | CN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL122384 | 22869 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 6 | 0 | 2 | 5.3 | CN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 1816 | 9318 | 102 | None | - | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| 4205 | 9318 | 102 | None | - | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| 7241 | 9318 | 102 | None | - | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL654 | 9318 | 102 | None | - | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| DB00370 | 9318 | 102 | None | - | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | 10.1016/s0960-894x(99)00591-0 | ||
| 10499570 | 23704 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 5 | 0 | 3 | 5.3 | Fc1ccc(-n2cc(OCCN3CCCCC3)c3cc(Cl)ccc32)cc1 | 10.1021/jm960159f | ||
| CHEMBL125291 | 23704 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 5 | 0 | 3 | 5.3 | Fc1ccc(-n2cc(OCCN3CCCCC3)c3cc(Cl)ccc32)cc1 | 10.1021/jm960159f | ||
| 2274 | 9947 | 58 | None | -6 | 31 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 9947 | 58 | None | -6 | 31 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 9947 | 58 | None | -6 | 31 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 9947 | 58 | None | -6 | 31 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 9947 | 58 | None | -6 | 31 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 44362195 | 127867 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL357129 | 127867 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 85469812 | 143464 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3740351 | 143464 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 15987265 | 203666 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL566075 | 203666 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 5.3 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 196129 | 74573 | 17 | None | -1698 | 15 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| CHEMBL1909065 | 74573 | 17 | None | -1698 | 15 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| 10409893 | 125894 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 420 | 5 | 1 | 3 | 4.4 | Cc1cccc2c1c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL342730 | 125894 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 420 | 5 | 1 | 3 | 4.4 | Cc1cccc2c1c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| 85469930 | 143652 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3742103 | 143652 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 10060965 | 42008 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143562 | 42008 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | ||
| 506 | 9032 | 39 | None | -97 | 6 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 6603904 | 9032 | 39 | None | -97 | 6 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| CHEMBL19476 | 9032 | 39 | None | -97 | 6 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 44574357 | 185486 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 471 | 6 | 1 | 2 | 6.4 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL468298 | 185486 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 471 | 6 | 1 | 2 | 6.4 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| 85469753 | 143539 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3741079 | 143539 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 3045401 | 62833 | 32 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162501 | 62833 | 32 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.4 | Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 2477 | 7532 | 59 | None | -218 | 29 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 36 | 7532 | 59 | None | -218 | 29 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 437 | 7532 | 59 | None | -218 | 29 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| CHEMBL49 | 7532 | 59 | None | -218 | 29 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| DB00490 | 7532 | 59 | None | -218 | 29 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 127049862 | 147035 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 8 | 1 | 5 | 4.4 | CNC(=O)c1cccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1 | 10.1016/j.bmcl.2016.04.087 | ||
| CHEMBL3805559 | 147035 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 8 | 1 | 5 | 4.4 | CNC(=O)c1cccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1 | 10.1016/j.bmcl.2016.04.087 | ||
| 22493280 | 55049 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155327 | 55049 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44573820 | 200047 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 489 | 6 | 1 | 2 | 6.5 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL523882 | 200047 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 489 | 6 | 1 | 2 | 6.5 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| 3082597 | 106335 | 8 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL283606 | 106335 | 8 | None | - | 1 | Bovine | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 191 | 7191 | 98 | None | -107 | 29 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 7191 | 98 | None | -107 | 29 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 7191 | 98 | None | -107 | 29 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 7191 | 98 | None | -107 | 29 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 7191 | 98 | None | -107 | 29 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 3823 | 56995 | 42 | None | -3019 | 11 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 56995 | 42 | None | -3019 | 11 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 56995 | 42 | None | -3019 | 11 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 127041710 | 143394 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3739762 | 143394 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 10403428 | 215176 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 315 | 4 | 1 | 2 | 4.0 | CN(C)CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL99653 | 215176 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 315 | 4 | 1 | 2 | 4.0 | CN(C)CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 45484995 | 205298 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL577904 | 205298 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 6 | 2 | 5 | 3.5 | Cc1cnc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(F)c3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 44573931 | 194231 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 479 | 7 | 0 | 4 | 5.6 | CN(CCCC1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1cccn1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL493962 | 194231 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 479 | 7 | 0 | 4 | 5.6 | CN(CCCC1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)n1cccn1 | 10.1016/j.bmcl.2009.04.016 | ||
| 146431 | 215055 | 1 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 4 | 1 | 2 | 4.3 | CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL98894 | 215055 | 1 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 4 | 1 | 2 | 4.3 | CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 2803 | 7742 | 58 | None | -3 | 19 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 7742 | 58 | None | -3 | 19 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 7742 | 58 | None | -3 | 19 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 7742 | 58 | None | -3 | 19 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 7742 | 58 | None | -3 | 19 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 7745 | 93 | None | -5 | 90 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 7745 | 93 | None | -5 | 90 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 124 | 9755 | 47 | None | -13 | 32 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 9755 | 47 | None | -13 | 32 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 9755 | 47 | None | -13 | 32 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 9755 | 47 | None | -13 | 32 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 9755 | 47 | None | -13 | 32 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 85469873 | 143370 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3739542 | 143370 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 3952 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| DB00629 | 8669 | 38 | None | -26 | 12 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 10108561 | 119721 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 295 | 2 | 0 | 4 | 2.8 | CN(C)CC1CC2c3ccccc3Cc3ccncc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
| CHEMBL331077 | 119721 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 295 | 2 | 0 | 4 | 2.8 | CN(C)CC1CC2c3ccccc3Cc3ccncc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
| 44376923 | 63201 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL163190 | 63201 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 137399257 | 169229 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.7 | COc1cc2nc(N3CCN(C(=O)Cc4ccc(OCc5ccccc5)cc4)CC3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.10.026 | ||
| CHEMBL4166644 | 169229 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 513 | 8 | 1 | 8 | 3.7 | COc1cc2nc(N3CCN(C(=O)Cc4ccc(OCc5ccccc5)cc4)CC3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.10.026 | ||
| 10734233 | 120521 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 316 | 4 | 0 | 2 | 4.5 | CN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL332365 | 120521 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 316 | 4 | 0 | 2 | 4.5 | CN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 10717072 | 170022 | 0 | None | - | 0 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 4 | 0 | 5 | 4.0 | Cn1c(=O)sc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| CHEMBL418499 | 170022 | 0 | None | - | 0 | Bovine | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 4 | 0 | 5 | 4.0 | Cn1c(=O)sc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| 10527817 | 119845 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 456 | 8 | 0 | 3 | 5.0 | CC(C)N1CCN(CCN(C)CCc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O | 10.1021/jm960159f | ||
| CHEMBL331193 | 119845 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 456 | 8 | 0 | 3 | 5.0 | CC(C)N1CCN(CCN(C)CCc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O | 10.1021/jm960159f | ||
| 10070029 | 172196 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 0 | 5 | 3.4 | CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL423841 | 172196 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 0 | 5 | 3.4 | CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL54089 | 172196 | 0 | None | - | 1 | Bovine | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 0 | 5 | 3.4 | CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 121852 | 16938 | 7 | None | - | 1 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL11592 | 16938 | 7 | None | - | 1 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL301060 | 16938 | 7 | None | - | 1 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10014217 | 106524 | 0 | None | - | 1 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 2.1 | COc1cccc2c1CC(N1CCCC1)CO2 | 10.1021/jm00038a007 | ||
| CHEMBL285010 | 106524 | 0 | None | - | 1 | Bovine | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 2.1 | COc1cccc2c1CC(N1CCCC1)CO2 | 10.1021/jm00038a007 | ||
| 135 | 9310 | 43 | None | -40 | 56 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| 1796 | 9310 | 43 | None | -40 | 56 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| 4184 | 9310 | 43 | None | -40 | 56 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL6437 | 9310 | 43 | None | -40 | 56 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| DB06148 | 9310 | 43 | None | -40 | 56 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1016/s0960-894x(01)00721-1 | ||
| 10550615 | 121364 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 8 | 1 | 4 | 3.8 | CN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL333774 | 121364 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 8 | 1 | 4 | 3.8 | CN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 44318842 | 212887 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 308 | 2 | 0 | 3 | 3.7 | Cc1ccc2c(c1)N1OC(CN(C)C)CC1c1ccccc1C2 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL85735 | 212887 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 308 | 2 | 0 | 3 | 3.7 | Cc1ccc2c(c1)N1OC(CN(C)C)CC1c1ccccc1C2 | 10.1016/s0960-894x(01)00721-1 | ||
| 11517341 | 180518 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 5 | 0 | 6 | 4.0 | COc1cccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c12 | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL453653 | 180518 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 5 | 0 | 6 | 4.0 | COc1cccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c12 | 10.1016/j.bmcl.2008.10.034 | ||
| 10812487 | 22343 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 4.3 | CN(CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL122042 | 22343 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 4.3 | CN(CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 10361439 | 116410 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.7 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL322275 | 116410 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.7 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL5206987 | 116410 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.7 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 13520334 | 119322 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.0 | CN(C)CC(c1ccc(Br)cc1)C1(O)CCC1 | 10.1021/jm00172a035 | ||
| CHEMBL329923 | 119322 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 297 | 4 | 1 | 2 | 3.0 | CN(C)CC(c1ccc(Br)cc1)C1(O)CCC1 | 10.1021/jm00172a035 | ||
| 44318454 | 212788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL84931 | 212788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 2 | 0 | 3 | 3.5 | CN(C)CC1CC2c3ccccc3Cc3ccc(F)cc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 78243717 | 144128 | 53 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 321 | 4 | 1 | 5 | 2.4 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | 10.6019/CHEMBL5212743 | ||
| CHEMBL3752911 | 144128 | 53 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 321 | 4 | 1 | 5 | 2.4 | O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O | 10.6019/CHEMBL5212743 | ||
| 10789000 | 210097 | 0 | None | - | 0 | Bovine | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 5.2 | Oc1nc2ccc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1 | 10.1021/jm970298c | ||
| CHEMBL64845 | 210097 | 0 | None | - | 0 | Bovine | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 5.2 | Oc1nc2ccc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1 | 10.1021/jm970298c | ||
| 134142282 | 152468 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3916182 | 152468 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 22493352 | 55048 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155326 | 55048 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11502381 | 180923 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 4.1 | Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(F)cccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL454642 | 180923 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 4.1 | Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(F)cccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 9794803 | 17778 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL117381 | 17778 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 85469754 | 143673 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3742276 | 143673 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 10378649 | 115370 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL320419 | 115370 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 5074 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm960159f | ||
| 97 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm960159f | ||
| CHEMBL267777 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm960159f | ||
| DB12693 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm960159f | ||
| 5074 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a007 | ||
| 97 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a007 | ||
| CHEMBL267777 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a007 | ||
| DB12693 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a007 | ||
| 5074 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a006 | ||
| 97 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a006 | ||
| CHEMBL267777 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a006 | ||
| DB12693 | 10105 | 80 | None | - | 30 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 10.1021/jm00104a006 | ||
| 44573822 | 194244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 505 | 6 | 0 | 3 | 6.4 | Cc1ccc(N(C(=O)N(C)CCCN2CCC3(CC2)OCc2ccccc23)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL494009 | 194244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 505 | 6 | 0 | 3 | 6.4 | Cc1ccc(N(C(=O)N(C)CCCN2CCC3(CC2)OCc2ccccc23)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| 44376984 | 62997 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162682 | 62997 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 85469869 | 143369 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3739533 | 143369 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 44574359 | 185514 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 471 | 6 | 1 | 2 | 6.4 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2cccc(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL468509 | 185514 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 471 | 6 | 1 | 2 | 6.4 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2cccc(F)c2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| 10531 | 8202 | 21 | None | -5 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 121 | 8202 | 21 | None | -5 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 888 | 8202 | 21 | None | -5 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL1732 | 8202 | 21 | None | -5 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00320 | 8202 | 21 | None | -5 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 100 | 10577 | 58 | None | 1 | 54 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 10577 | 58 | None | 1 | 54 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 10577 | 58 | None | 1 | 54 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 10577 | 58 | None | 1 | 54 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 10577 | 58 | None | 1 | 54 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 6761 | 74574 | 19 | None | 1 | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 74574 | 19 | None | 1 | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 9802796 | 171109 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 430 | 8 | 1 | 4 | 3.8 | CN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL421244 | 171109 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 430 | 8 | 1 | 4 | 3.8 | CN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 44362185 | 127807 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL356605 | 127807 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 10364538 | 11158 | 0 | None | - | 1 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL101322 | 11158 | 0 | None | - | 1 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1204312 | 11158 | 0 | None | - | 1 | Bovine | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1021/jm00099a028 | ||
| 10245637 | 39908 | 2 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 323 | 2 | 0 | 3 | 3.6 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2N1CCN(C)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL141721 | 39908 | 2 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 323 | 2 | 0 | 3 | 3.6 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2N1CCN(C)CC1 | 10.1021/jm00104a007 | ||
| 9885114 | 126382 | 5 | None | -47 | 12 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| CHEMBL346389 | 126382 | 5 | None | -47 | 12 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| 59271992 | 124826 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 513 | 13 | 2 | 7 | 3.5 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC | 10.1016/j.bmcl.2015.02.040 | ||
| CHEMBL3403995 | 124826 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 513 | 13 | 2 | 7 | 3.5 | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC | 10.1016/j.bmcl.2015.02.040 | ||
| 10092409 | 18818 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 400 | 9 | 0 | 4 | 3.7 | CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1183479 | 18818 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 400 | 9 | 0 | 4 | 3.7 | CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL299561 | 18818 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 400 | 9 | 0 | 4 | 3.7 | CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10095594 | 19140 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 10 | 0 | 5 | 4.6 | CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1185501 | 19140 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 10 | 0 | 5 | 4.6 | CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL417550 | 19140 | 0 | None | - | 0 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 456 | 10 | 0 | 5 | 4.6 | CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10251673 | 106266 | 0 | None | - | 1 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 9 | 0 | 5 | 3.8 | CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL283207 | 106266 | 0 | None | - | 1 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 9 | 0 | 5 | 3.8 | CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL52396 | 106266 | 0 | None | - | 1 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 9 | 0 | 5 | 3.8 | CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10338595 | 169278 | 0 | None | - | 1 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 9 | 0 | 4 | 4.0 | CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL416747 | 169278 | 0 | None | - | 1 | Bovine | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 9 | 0 | 4 | 4.0 | CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 13520313 | 114528 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 3.8 | CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL319142 | 114528 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 3.8 | CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 122179431 | 128221 | 0 | None | -1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| CHEMBL3582272 | 128221 | 0 | None | -1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| 132499 | 114021 | 8 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.7 | CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL316862 | 114021 | 8 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.7 | CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 44376845 | 62319 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162058 | 62319 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 5 | 0 | 7 | 3.4 | COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC | 10.1016/s0960-894x(99)00591-0 | ||
| 26987 | 7736 | 33 | None | -75 | 21 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 7736 | 33 | None | -75 | 21 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 7736 | 33 | None | -75 | 21 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 7736 | 33 | None | -75 | 21 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 7736 | 33 | None | -75 | 21 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 9904205 | 212629 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
| CHEMBL83658 | 212629 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(02)00796-5 | ||
| 9904205 | 212629 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| CHEMBL83658 | 212629 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(01)00721-1 | ||
| 10432755 | 120573 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 4.3 | CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 | 10.1021/jm960159f | ||
| CHEMBL332425 | 120573 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 4.3 | CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12 | 10.1021/jm960159f | ||
| 10047887 | 127827 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 4.7 | CNC(=O)N(C)CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C)ccc32)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL356799 | 127827 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 4.7 | CNC(=O)N(C)CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C)ccc32)CC1 | 10.1021/jm00104a007 | ||
| 4452 | 9538 | 19 | None | - | 18 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1021/jm960159f | ||
| 983 | 9538 | 19 | None | - | 18 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1021/jm960159f | ||
| CHEMBL20734 | 9538 | 19 | None | - | 18 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1021/jm960159f | ||
| 44574358 | 185487 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 467 | 6 | 1 | 2 | 6.5 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL468299 | 185487 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 467 | 6 | 1 | 2 | 6.5 | Cc1ccc(N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2009.04.016 | ||
| 85469872 | 143583 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3741483 | 143583 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | ||
| 44596863 | 205706 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 367 | 6 | 1 | 6 | 2.3 | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N | 10.1021/jm900458r | ||
| CHEMBL584606 | 205706 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 367 | 6 | 1 | 6 | 2.3 | C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N | 10.1021/jm900458r | ||
| 4011 | 89183 | 49 | None | -125 | 24 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 89183 | 49 | None | -125 | 24 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 1531 | 9046 | 69 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 3869 | 9046 | 69 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 7207 | 9046 | 69 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| CHEMBL429 | 9046 | 69 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| DB00598 | 9046 | 69 | None | -3 | 16 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 44376927 | 62411 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL162147 | 62411 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 461 | 3 | 0 | 5 | 5.0 | Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 506 | 9032 | 39 | None | -81 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 6603904 | 9032 | 39 | None | -81 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| CHEMBL19476 | 9032 | 39 | None | -81 | 6 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 11502638 | 180522 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 419 | 5 | 0 | 6 | 4.0 | COc1ccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL453654 | 180522 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 419 | 5 | 0 | 6 | 4.0 | COc1ccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2008.10.034 | ||
| 10644514 | 107834 | 0 | None | - | 0 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 397 | 6 | 0 | 6 | 3.4 | COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3C)CC1 | 10.1021/jm970298c | ||
| CHEMBL294730 | 107834 | 0 | None | - | 0 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 397 | 6 | 0 | 6 | 3.4 | COc1ccccc1N1CCN(CCCc2ccc3c(c2)sc(=O)n3C)CC1 | 10.1021/jm970298c | ||
| 10409070 | 128702 | 4 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 406 | 5 | 1 | 3 | 4.1 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccccc32)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL359031 | 128702 | 4 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 406 | 5 | 1 | 3 | 4.1 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccccc32)CC1 | 10.1021/jm00104a007 | ||
| 31101 | 7516 | 40 | None | -4 | 35 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 35 | 7516 | 40 | None | -4 | 35 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 403 | 7516 | 40 | None | -4 | 35 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| CHEMBL493 | 7516 | 40 | None | -4 | 35 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| DB01200 | 7516 | 40 | None | -4 | 35 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 125017 | 16223 | 99 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 263 | 4 | 2 | 3 | 2.7 | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL1118 | 16223 | 99 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 263 | 4 | 2 | 3 | 2.7 | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 10528455 | 22344 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 472 | 9 | 0 | 4 | 4.9 | CC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O | 10.1021/jm960159f | ||
| CHEMBL122047 | 22344 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 472 | 9 | 0 | 4 | 4.9 | CC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O | 10.1021/jm960159f | ||
| 10413283 | 194247 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 7 | 0 | 3 | 5.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL494016 | 194247 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 7 | 0 | 3 | 5.5 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.04.016 | ||
| 121852 | 16938 | 7 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL11592 | 16938 | 7 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL301060 | 16938 | 7 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 5 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10024943 | 104165 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 416 | 9 | 0 | 5 | 3.7 | CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL26975 | 104165 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 416 | 9 | 0 | 5 | 3.7 | CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL52485 | 104165 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 416 | 9 | 0 | 5 | 3.7 | CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 2291 | 9958 | 58 | None | -446 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 2561 | 9958 | 58 | None | -446 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 4932 | 9958 | 58 | None | -446 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| CHEMBL631 | 9958 | 58 | None | -446 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| DB01182 | 9958 | 58 | None | -446 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 14183742 | 215101 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 3.8 | CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL99175 | 215101 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 3.8 | CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 119081417 | 158438 | 38 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 10 | 0 | 7 | 5.2 | CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1 | 10.1021/acs.jmedchem.6b01839 | ||
| CHEMBL3963965 | 158438 | 38 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 10 | 0 | 7 | 5.2 | CCCOc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2CCN2CCOCC2)cc1 | 10.1021/acs.jmedchem.6b01839 | ||
| 11567596 | 181361 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 403 | 4 | 0 | 5 | 4.4 | Cn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL455681 | 181361 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 403 | 4 | 0 | 5 | 4.4 | Cn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 1599 | 9120 | 50 | None | -3019 | 16 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 9120 | 50 | None | -3019 | 16 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 9120 | 50 | None | -3019 | 16 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 9120 | 50 | None | -3019 | 16 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 9120 | 50 | None | -3019 | 16 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 1028 | 7079 | 71 | None | -47 | 30 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 7079 | 71 | None | -47 | 30 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 7079 | 71 | None | -47 | 30 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 7079 | 71 | None | -47 | 30 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 7079 | 71 | None | -47 | 30 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 7079 | 71 | None | -47 | 30 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 11618024 | 193452 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 4 | 0 | 5 | 4.0 | Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL488249 | 193452 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 4 | 0 | 5 | 4.0 | Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 2435 | 7509 | 100 | None | -436 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 395 | 7509 | 100 | None | -436 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 520 | 7509 | 100 | None | -436 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 5386 | 7509 | 100 | None | -436 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| CHEMBL844 | 7509 | 100 | None | -436 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| DB00484 | 7509 | 100 | None | -436 | 12 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 135398745 | 9688 | 112 | None | -13 | 65 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 9688 | 112 | None | -13 | 65 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 9688 | 112 | None | -13 | 65 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 9688 | 112 | None | -13 | 65 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 10647075 | 23667 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 8 | 1 | 4 | 4.5 | CN(CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL125072 | 23667 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 8 | 1 | 4 | 4.5 | CN(CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 11618702 | 180623 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 423 | 4 | 0 | 5 | 4.7 | Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL453893 | 180623 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 423 | 4 | 0 | 5 | 4.7 | Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O | 10.1016/j.bmcl.2008.10.034 | ||
| 23151199 | 192807 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 3.9 | Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL487063 | 192807 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 3.9 | Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2008.10.034 | ||
| 10219 | 195575 | 37 | None | -467 | 5 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL493439 | 195575 | 37 | None | -467 | 5 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL50588 | 195575 | 37 | None | -467 | 5 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| 44269124 | 35591 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL13789 | 35591 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | ||
| 85469931 | 143670 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3742253 | 143670 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 10003405 | 127853 | 4 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.8 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL357019 | 127853 | 4 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.8 | O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 | 10.1021/jm00104a007 | ||
| 1353 | 8692 | 93 | None | -10 | 85 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 8692 | 93 | None | -10 | 85 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 8692 | 93 | None | -10 | 85 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 8692 | 93 | None | -10 | 85 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 44377035 | 126908 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL351200 | 126908 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 373 | 3 | 0 | 5 | 3.7 | Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 2585 | 7590 | 103 | None | -5 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 7590 | 103 | None | -5 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 7590 | 103 | None | -5 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 7590 | 103 | None | -5 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 7590 | 103 | None | -5 | 22 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 9826570 | 120089 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 0 | 3 | 5.7 | CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)C1=O | 10.1021/jm960159f | ||
| CHEMBL331545 | 120089 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 0 | 3 | 5.7 | CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)C1=O | 10.1021/jm960159f | ||
| 9826570 | 120089 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 0 | 3 | 5.7 | CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)C1=O | 10.1021/jm00104a007 | ||
| CHEMBL331545 | 120089 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 0 | 3 | 5.7 | CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)C1=O | 10.1021/jm00104a007 | ||
| 14739952 | 11246 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1OC | 10.1021/jm00172a035 | ||
| CHEMBL101819 | 11246 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1OC | 10.1021/jm00172a035 | ||
| 10251234 | 18017 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1178932 | 18017 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL50530 | 18017 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 9981024 | 102872 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL26018 | 102872 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL300735 | 102872 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 446 | 11 | 1 | 5 | 3.8 | CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10047322 | 103915 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 412 | 8 | 0 | 4 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
| CHEMBL26783 | 103915 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 412 | 8 | 0 | 4 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
| CHEMBL50993 | 103915 | 0 | None | - | 1 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 412 | 8 | 0 | 4 | 4.2 | CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1 | 10.1021/jm00038a007 | ||
| 10008463 | 18021 | 0 | None | - | 0 | Bovine | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 457 | 9 | 0 | 4 | 4.3 | CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1178971 | 18021 | 0 | None | - | 0 | Bovine | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 457 | 9 | 0 | 4 | 4.3 | CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL51985 | 18021 | 0 | None | - | 0 | Bovine | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 457 | 9 | 0 | 4 | 4.3 | CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10364835 | 43271 | 4 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 5 | 1 | 3 | 4.4 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL144767 | 43271 | 4 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 5 | 1 | 3 | 4.4 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1 | 10.1021/jm00104a007 | ||
| 11641036 | 192802 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 453 | 8 | 0 | 5 | 5.4 | O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1Cc1ccccc1 | 10.1016/j.bmcl.2008.10.034 | ||
| CHEMBL487059 | 192802 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 453 | 8 | 0 | 5 | 5.4 | O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1Cc1ccccc1 | 10.1016/j.bmcl.2008.10.034 | ||
| 44377036 | 126934 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL351483 | 126934 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 4.0 | Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 10544460 | 23182 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 5 | 0 | 2 | 4.9 | CN(C)CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL123094 | 23182 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 330 | 5 | 0 | 2 | 4.9 | CN(C)CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 42636941 | 185728 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| CHEMBL470432 | 185728 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | ||
| 23027527 | 203571 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| CHEMBL565551 | 203571 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 5 | 2 | 5 | 3.1 | Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc1N(C)C | 10.1016/j.bmcl.2009.09.003 | ||
| 44343247 | 117412 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL325745 | 117412 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 2286 | 9957 | 51 | None | -10 | 30 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 9957 | 51 | None | -10 | 30 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 9957 | 51 | None | -10 | 30 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 9957 | 51 | None | -10 | 30 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 9957 | 51 | None | -10 | 30 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 1043 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 149 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 3251 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 8223 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL1982133 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL442 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00696 | 8363 | 14 | None | -35 | 29 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 2726 | 7706 | 68 | None | -2 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 7706 | 68 | None | -2 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 7706 | 68 | None | -2 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 7706 | 68 | None | -2 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 7706 | 68 | None | -2 | 72 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 56961507 | 128220 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| CHEMBL3582271 | 128220 | 0 | None | 1 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| 10251234 | 18017 | 0 | None | - | 0 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL1178932 | 18017 | 0 | None | - | 0 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL50530 | 18017 | 0 | None | - | 0 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 414 | 9 | 0 | 5 | 3.3 | CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 10252000 | 105323 | 0 | None | - | 1 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 428 | 8 | 0 | 5 | 3.8 | CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL27650 | 105323 | 0 | None | - | 1 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 428 | 8 | 0 | 5 | 3.8 | CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL50188 | 105323 | 0 | None | - | 1 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 428 | 8 | 0 | 5 | 3.8 | CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 3082597 | 106335 | 8 | None | - | 1 | Bovine | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL283606 | 106335 | 8 | None | - | 1 | Bovine | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 263 | 6 | 0 | 3 | 3.1 | CCCN(CCC)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 22493392 | 53929 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154298 | 53929 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44376936 | 64248 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165776 | 64248 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 373 | 4 | 0 | 5 | 3.7 | Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 46182745 | 64101 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 6.2 | O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl | 10.1021/jm3005306 | ||
| CHEMBL1651208 | 64101 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 6.2 | O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl | 10.1021/jm3005306 | ||
| 10736518 | 23165 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 348 | 5 | 0 | 3 | 5.1 | CN(C)CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| CHEMBL123027 | 23165 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 348 | 5 | 0 | 3 | 5.1 | CN(C)CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 | 10.1021/jm960159f | ||
| 10788207 | 207546 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 3.4 | CN1C(=O)COc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| CHEMBL60047 | 207546 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 3.4 | CN1C(=O)COc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 | 10.1021/jm970298c | ||
| 9816986 | 170918 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL421011 | 170918 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 2337 | 10030 | 77 | None | -3 | 62 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 10030 | 77 | None | -3 | 62 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 10030 | 77 | None | -3 | 62 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 10030 | 77 | None | -3 | 62 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 10030 | 77 | None | -3 | 62 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 10551704 | 123616 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 454 | 9 | 1 | 4 | 3.8 | C#CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| CHEMBL338022 | 123616 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 454 | 9 | 1 | 4 | 3.8 | C#CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O | 10.1021/jm960159f | ||
| 13520319 | 170184 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 315 | 4 | 1 | 2 | 4.0 | CN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| CHEMBL419533 | 170184 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 315 | 4 | 1 | 2 | 4.0 | CN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCCC1 | 10.1021/jm00172a035 | ||
| 85469756 | 143365 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3739513 | 143365 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 10093723 | 43210 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 4.7 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCNC(=O)N(C)C)CC1 | 10.1021/jm00104a007 | ||
| CHEMBL144710 | 43210 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 4.7 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCNC(=O)N(C)C)CC1 | 10.1021/jm00104a007 | ||
| 85469868 | 143558 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3741260 | 143558 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 85469755 | 143547 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3741161 | 143547 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 44377200 | 64194 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| CHEMBL165350 | 64194 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 437 | 3 | 0 | 5 | 4.1 | Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 | 10.1016/s0960-894x(99)00591-0 | ||
| 2284 | 9956 | 33 | None | -1 | 29 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 9956 | 33 | None | -1 | 29 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 9956 | 33 | None | -1 | 29 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 9956 | 33 | None | -1 | 29 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 9956 | 33 | None | -1 | 29 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 10645076 | 207089 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 1 | 5 | 4.4 | Oc1nc2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1 | 10.1021/jm970298c | ||
| CHEMBL59741 | 207089 | 0 | None | - | 0 | Bovine | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 407 | 4 | 1 | 5 | 4.4 | Oc1nc2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1 | 10.1021/jm970298c | ||
| 5656 | 209845 | 87 | None | - | 43 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL637 | 209845 | 87 | None | - | 43 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| 10321964 | 25623 | 0 | None | - | 0 | Bovine | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 1 | 7 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc([N+](=O)[O-])cc3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL1203302 | 25623 | 0 | None | - | 0 | Bovine | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 1 | 7 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc([N+](=O)[O-])cc3)CC1)O2 | 10.1021/jm00099a028 | ||
| CHEMBL128132 | 25623 | 0 | None | - | 0 | Bovine | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 459 | 6 | 1 | 7 | 3.0 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc([N+](=O)[O-])cc3)CC1)O2 | 10.1021/jm00099a028 | ||
| 9795857 | 214927 | 59 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 249 | 4 | 2 | 3 | 2.4 | COc1ccc(C(CN)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| CHEMBL98158 | 214927 | 59 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 249 | 4 | 2 | 3 | 2.4 | COc1ccc(C(CN)C2(O)CCCCC2)cc1 | 10.1021/jm00172a035 | ||
| 10321248 | 106202 | 0 | None | - | 1 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 444 | 9 | 0 | 6 | 3.7 | CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL28287 | 106202 | 0 | None | - | 1 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 444 | 9 | 0 | 6 | 3.7 | CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| CHEMBL50722 | 106202 | 0 | None | - | 1 | Bovine | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 444 | 9 | 0 | 6 | 3.7 | CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 | 10.1021/jm00038a007 | ||
| 53246941 | 76197 | 42 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 3.9 | C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | 10.6019/CHEMBL5212743 | ||
| CHEMBL1933288 | 76197 | 42 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 3.9 | C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | 10.6019/CHEMBL5212743 | ||
| 44573823 | 200013 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 491 | 6 | 0 | 3 | 6.1 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.04.016 | ||
| CHEMBL523697 | 200013 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 491 | 6 | 0 | 3 | 6.1 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.04.016 | ||
| 3033538 | 8101 | 39 | None | -7 | 9 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 7155 | 8101 | 39 | None | -7 | 9 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 781 | 8101 | 39 | None | -7 | 9 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| CHEMBL1201216 | 8101 | 39 | None | -7 | 9 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| DB00298 | 8101 | 39 | None | -7 | 9 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 133 | 9274 | 52 | None | -70 | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 9274 | 52 | None | -70 | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 9274 | 52 | None | -70 | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 9274 | 52 | None | -70 | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 9274 | 52 | None | -70 | 43 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 14739950 | 215045 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 5 | 1 | 3 | 2.6 | COc1cccc(C(CN(C)C)C2(O)CCCC2)c1 | 10.1021/jm00172a035 | ||
| CHEMBL98842 | 215045 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 5 | 1 | 3 | 2.6 | COc1cccc(C(CN(C)C)C2(O)CCCC2)c1 | 10.1021/jm00172a035 | ||
| 19063108 | 100259 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | ||
| CHEMBL24619 | 100259 | 0 | None | - | 0 | Bovine | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | ||
| 85469871 | 143362 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| CHEMBL3739505 | 143362 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | ||
| 2398 | 7741 | 62 | None | -4 | 29 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 2801 | 7741 | 62 | None | -4 | 29 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 701 | 7741 | 62 | None | -4 | 29 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL415 | 7741 | 62 | None | -4 | 29 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| DB01242 | 7741 | 62 | None | -4 | 29 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00025a012 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00025a012 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00025a012 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00025a012 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00025a012 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00025a012 | ||
| 164612037 | 192156 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 192156 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 199747 | 0 | None | -16 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 199747 | 0 | None | -16 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 199747 | 0 | None | -16 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 199798 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 199798 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 199798 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 199810 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 199810 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 199810 | 0 | None | -4 | 20 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44363762 | 46924 | 0 | None | - | 1 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 497 | 6 | 1 | 11 | 1.8 | COc1cc2nc(N3CCN(S(=O)(=O)c4nonc4-c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| CHEMBL147984 | 46924 | 0 | None | - | 1 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 497 | 6 | 1 | 11 | 1.8 | COc1cc2nc(N3CCN(S(=O)(=O)c4nonc4-c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| 10250895 | 197121 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 408 | 7 | 0 | 6 | 3.7 | COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 | 10.1021/jm400408r | ||
| CHEMBL51767 | 197121 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 408 | 7 | 0 | 6 | 3.7 | COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 | 10.1021/jm400408r | ||
| 10250895 | 197121 | 0 | None | -1 | 5 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 408 | 7 | 0 | 6 | 3.7 | COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL51767 | 197121 | 0 | None | -1 | 5 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 408 | 7 | 0 | 6 | 3.7 | COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 | 10.1016/s0960-894x(02)00933-2 | ||
| 44364207 | 44571 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 513 | 6 | 1 | 11 | 1.0 | COc1cc2nc(N3CCN(S(=O)(=O)c4no[n+]([O-])c4-c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| CHEMBL145838 | 44571 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 513 | 6 | 1 | 11 | 1.0 | COc1cc2nc(N3CCN(S(=O)(=O)c4no[n+]([O-])c4-c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| 71817386 | 109363 | 0 | None | -6 | 7 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419769 | 109363 | 0 | None | -6 | 7 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL3040851 | 109363 | 0 | None | -6 | 7 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Rat | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 10317514 | 199308 | 0 | None | -14 | 6 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 3.7 | Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL52096 | 199308 | 0 | None | -14 | 6 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 3.7 | Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | ||
| 9 | 7482 | 28 | None | -288 | 11 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | ||
| 73437674 | 125309 | 0 | None | -2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415014 | 125309 | 0 | None | -2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 14348818 | 116551 | 0 | None | 5 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL323176 | 116551 | 0 | None | 5 | 3 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 71817545 | 98899 | 0 | None | -2 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419765 | 98899 | 0 | None | -2 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 71817547 | 109355 | 0 | None | -81 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL2419771 | 109355 | 0 | None | -81 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL3040800 | 109355 | 0 | None | -81 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| 76308474 | 113011 | 0 | None | -162 | 5 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261607 | 113011 | 0 | None | -162 | 5 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
| CHEMBL3138856 | 113011 | 0 | None | -162 | 5 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
| 10252540 | 92132 | 1 | None | -83 | 6 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261604 | 92132 | 1 | None | -83 | 6 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 10252540 | 92132 | 1 | None | -83 | 6 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261604 | 92132 | 1 | None | -83 | 6 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 1353 | 8692 | 93 | None | -10 | 85 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/s0960-894x(02)00933-2 | ||
| 3559 | 8692 | 93 | None | -10 | 85 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/s0960-894x(02)00933-2 | ||
| 86 | 8692 | 93 | None | -10 | 85 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/s0960-894x(02)00933-2 | ||
| DB00502 | 8692 | 93 | None | -10 | 85 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/s0960-894x(02)00933-2 | ||
| 155559152 | 181559 | 0 | None | -21 | 3 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | ||
| CHEMBL4561614 | 181559 | 0 | None | -21 | 3 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | ||
| 44294972 | 190797 | 0 | None | -1 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 395 | 7 | 0 | 7 | 2.8 | COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL48205 | 190797 | 0 | None | -1 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 395 | 7 | 0 | 7 | 2.8 | COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| 73437673 | 125308 | 0 | None | -5 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415013 | 125308 | 0 | None | -5 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 10527913 | 128302 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 459 | 5 | 1 | 12 | -0.4 | COC(=O)c1c(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)no[n+]1[O-] | 10.1021/jm00025a012 | ||
| CHEMBL358498 | 128302 | 0 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 459 | 5 | 1 | 12 | -0.4 | COC(=O)c1c(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)no[n+]1[O-] | 10.1021/jm00025a012 | ||
| 155567902 | 182773 | 0 | None | -6 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | ||
| CHEMBL4589115 | 182773 | 0 | None | -6 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | ||
| 92766 | 113319 | 35 | None | 1 | 6 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00370a011 | ||
| CHEMBL31410 | 113319 | 35 | None | 1 | 6 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00370a011 | ||
| 2803 | 7742 | 58 | None | -3 | 19 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | ||
| 516 | 7742 | 58 | None | -3 | 19 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | ||
| 704 | 7742 | 58 | None | -3 | 19 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | ||
| CHEMBL134 | 7742 | 58 | None | -3 | 19 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | ||
| DB00575 | 7742 | 58 | None | -3 | 19 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1021/jm00115a008 | ||
| 73438500 | 125306 | 0 | None | -2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415011 | 125306 | 0 | None | -2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 44294683 | 196646 | 0 | None | -3 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 379 | 6 | 0 | 6 | 3.1 | Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL51681 | 196646 | 0 | None | -3 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 379 | 6 | 0 | 6 | 3.1 | Cc1cc(=O)oc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| 44364190 | 46539 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 539 | 6 | 1 | 11 | 1.4 | COc1cc2nc(N3CCN(S(=O)(=O)c4no[n+]([O-])c4C4=C/C=C\C=C/C=C\4)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| CHEMBL147624 | 46539 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 539 | 6 | 1 | 11 | 1.4 | COc1cc2nc(N3CCN(S(=O)(=O)c4no[n+]([O-])c4C4=C/C=C\C=C/C=C\4)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| 71817549 | 109357 | 0 | None | -7 | 7 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3040803 | 109357 | 0 | None | -7 | 7 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3216590 | 109357 | 0 | None | -7 | 7 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00370a011 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00370a011 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00370a011 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00370a011 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00370a011 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm00370a011 | ||
| 4418 | 40996 | 85 | None | -10 | 7 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL142635 | 40996 | 85 | None | -10 | 7 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| DB12092 | 40996 | 85 | None | -10 | 7 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 71817547 | 109355 | 0 | None | -81 | 7 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL2419771 | 109355 | 0 | None | -81 | 7 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL3040800 | 109355 | 0 | None | -81 | 7 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| 44294973 | 190780 | 0 | None | 1 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 394 | 7 | 0 | 6 | 3.4 | COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL48194 | 190780 | 0 | None | 1 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 394 | 7 | 0 | 6 | 3.4 | COc1cc(=O)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm00370a011 | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm00370a011 | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm00370a011 | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm00370a011 | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm00370a011 | ||
| 86288949 | 119402 | 0 | None | -5 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
| CHEMBL3233665 | 119402 | 0 | None | -5 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
| CHEMBL3302599 | 119402 | 0 | None | -5 | 5 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 102 | 10899 | 48 | None | -346 | 49 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00370a011 | ||
| 3659 | 10899 | 48 | None | -346 | 49 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00370a011 | ||
| 8969 | 10899 | 48 | None | -346 | 49 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00370a011 | ||
| CHEMBL15245 | 10899 | 48 | None | -346 | 49 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00370a011 | ||
| DB01392 | 10899 | 48 | None | -346 | 49 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00370a011 | ||
| 15112598 | 16093 | 0 | None | -2 | 3 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL111090 | 16093 | 0 | None | -2 | 3 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 134149596 | 155244 | 0 | None | -10 | 4 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3938038 | 155244 | 0 | None | -10 | 4 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 491 | 6980 | 9 | None | -44 | 12 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891167 | 6980 | 9 | None | -44 | 12 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13856 | 6980 | 9 | None | -44 | 12 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 71817545 | 98899 | 0 | None | -2 | 7 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419765 | 98899 | 0 | None | -2 | 7 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 14348818 | 116551 | 0 | None | 5 | 3 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL323176 | 116551 | 0 | None | 5 | 3 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 44294687 | 103682 | 0 | None | 7 | 2 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 380 | 6 | 0 | 7 | 2.5 | Cc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL265805 | 103682 | 0 | None | 7 | 2 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 380 | 6 | 0 | 7 | 2.5 | Cc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| 155534921 | 178766 | 0 | None | -5 | 3 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | ||
| CHEMBL4471070 | 178766 | 0 | None | -5 | 3 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | ||
| 44294988 | 200039 | 0 | None | 1 | 2 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 396 | 7 | 0 | 8 | 2.2 | COc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL52384 | 200039 | 0 | None | 1 | 2 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 396 | 7 | 0 | 8 | 2.2 | COc1cc(=O)oc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12 | 10.1016/s0960-894x(02)00933-2 | ||
| 73437729 | 125313 | 0 | None | -2 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415018 | 125313 | 0 | None | -2 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 86288950 | 119420 | 0 | None | -15 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
| CHEMBL3233666 | 119420 | 0 | None | -15 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
| CHEMBL3302931 | 119420 | 0 | None | -15 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | ||
| 71817386 | 109363 | 0 | None | -6 | 7 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419769 | 109363 | 0 | None | -6 | 7 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL3040851 | 109363 | 0 | None | -6 | 7 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 10694582 | 45341 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 444 | 5 | 2 | 11 | -1.1 | COc1cc2nc(N3CCN(C(=O)c4no[n+]([O-])c4C(N)=O)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| CHEMBL146481 | 45341 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 444 | 5 | 2 | 11 | -1.1 | COc1cc2nc(N3CCN(C(=O)c4no[n+]([O-])c4C(N)=O)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| 73437677 | 125314 | 0 | None | -9 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415019 | 125314 | 0 | None | -9 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 73437675 | 125310 | 0 | None | -2 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415015 | 125310 | 0 | None | -2 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 73437730 | 125311 | 0 | None | -2 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415016 | 125311 | 0 | None | -2 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 73437678 | 125312 | 0 | None | -4 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415017 | 125312 | 0 | None | -4 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 9871544 | 20988 | 3 | None | -141 | 11 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076624 | 20988 | 3 | None | -141 | 11 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198948 | 20988 | 3 | None | -141 | 11 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 118733023 | 125315 | 0 | None | -2 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415020 | 125315 | 0 | None | -2 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 73438501 | 125307 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3415012 | 125307 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | ||
| 44294991 | 108300 | 0 | None | 2 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 424 | 8 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1 | 10.1016/s0960-894x(02)00933-2 | ||
| CHEMBL298108 | 108300 | 0 | None | 2 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 424 | 8 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1 | 10.1016/s0960-894x(02)00933-2 | ||
| 73437676 | 125274 | 0 | None | -1 | 3 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | ||
| CHEMBL3414578 | 125274 | 0 | None | -1 | 3 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | ||
| 14348818 | 116551 | 0 | None | 5 | 3 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL323176 | 116551 | 0 | None | 5 | 3 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 490 | 6979 | 8 | None | -36 | 12 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9890547 | 6979 | 8 | None | -36 | 12 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL268758 | 6979 | 8 | None | -36 | 12 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 10550345 | 125972 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 426 | 4 | 1 | 11 | -0.3 | COc1cc2nc(N3CCN(C(=O)c4no[n+]([O-])c4C#N)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| CHEMBL343188 | 125972 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 426 | 4 | 1 | 11 | -0.3 | COc1cc2nc(N3CCN(C(=O)c4no[n+]([O-])c4C#N)CC3)nc(N)c2cc1OC | 10.1021/jm00025a012 | ||
| 71817549 | 109357 | 0 | None | -7 | 7 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3040803 | 109357 | 0 | None | -7 | 7 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3216590 | 109357 | 0 | None | -7 | 7 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| 10531157 | 44576 | 0 | None | 2290 | 3 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145843 | 44576 | 0 | None | 2290 | 3 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 60820 | 11080 | 14 | None | 1 | 12 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1016/j.bmc.2008.02.091 | ||
| CHEMBL10085 | 11080 | 14 | None | 1 | 12 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1016/j.bmc.2008.02.091 | ||
| 10745901 | 44238 | 0 | None | 1698 | 3 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145547 | 44238 | 0 | None | 1698 | 3 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 164089 | 117130 | 24 | None | -1 | 5 | Bovine | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
| CHEMBL324090 | 117130 | 24 | None | -1 | 5 | Bovine | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
| 129211 | 10521 | 78 | None | -2 | 16 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
| 2562 | 10521 | 78 | None | -2 | 16 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
| 488 | 10521 | 78 | None | -2 | 16 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
| CHEMBL836 | 10521 | 78 | None | -2 | 16 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
| DB00706 | 10521 | 78 | None | -2 | 16 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | ||
| 4151 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1016/j.bmcl.2004.11.032 | ||
| 493 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1016/j.bmcl.2004.11.032 | ||
| 5312125 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL24778 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1016/j.bmcl.2004.11.032 | ||
| DB06207 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1016/j.bmcl.2004.11.032 | ||
| 4151 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
| 493 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
| 5312125 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
| CHEMBL24778 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
| DB06207 | 10379 | 89 | None | 33 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | ||
| 44298611 | 107429 | 0 | None | 125 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL292189 | 107429 | 0 | None | 125 | 3 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | ||
| 164089 | 117130 | 24 | None | -1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
| CHEMBL324090 | 117130 | 24 | None | -1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | ||
| 10789770 | 107662 | 0 | None | 1 | 5 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL293695 | 107662 | 0 | None | 1 | 5 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10622402 | 209539 | 0 | None | 6 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
| CHEMBL62028 | 209539 | 0 | None | 6 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2014.12.045 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2014.12.045 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2014.12.045 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2014.12.045 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2014.12.045 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm401895u | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm401895u | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm401895u | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm401895u | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm401895u | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm401895u | ||
| 76333279 | 91591 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 405 | 8 | 1 | 5 | 4.6 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234441 | 91591 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 405 | 8 | 1 | 5 | 4.6 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 | 10.1007/s00044-010-9379-1 | ||
| 10698570 | 125536 | 0 | None | 257 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL341849 | 125536 | 0 | None | 257 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 11742834 | 172549 | 0 | None | -1 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| CHEMBL42472 | 172549 | 0 | None | -1 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| 76333279 | 91591 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 405 | 8 | 1 | 5 | 4.6 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234441 | 91591 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 405 | 8 | 1 | 5 | 4.6 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 | 10.1007/s00044-010-9379-1 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | ||
| 19085858 | 110929 | 0 | None | 173 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL309518 | 110929 | 0 | None | 173 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
| 10817365 | 43487 | 0 | None | 501 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL144933 | 43487 | 0 | None | 501 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10651636 | 44635 | 0 | None | 1318 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL145894 | 44635 | 0 | None | 1318 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 44298664 | 204065 | 0 | None | 31 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL56863 | 204065 | 0 | None | 31 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 19085914 | 212604 | 0 | None | 234 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL83340 | 212604 | 0 | None | 234 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
| 49781233 | 24697 | 0 | None | 5 | 3 | Bovine | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259217 | 24697 | 0 | None | 5 | 3 | Bovine | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | ||
| 44324405 | 213540 | 0 | None | 117 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| CHEMBL90086 | 213540 | 0 | None | 117 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| 10767606 | 214230 | 0 | None | 371 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL94188 | 214230 | 0 | None | 371 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1016/j.ejmech.2017.03.025 | ||
| 10767606 | 214230 | 0 | None | 371 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| CHEMBL94188 | 214230 | 0 | None | 371 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990277d | ||
| 9913449 | 113229 | 1 | None | 13 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL313990 | 113229 | 1 | None | 13 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 10526964 | 213744 | 0 | None | 1 | 3 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91278 | 213744 | 0 | None | 1 | 3 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
| 76315111 | 91593 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234443 | 91593 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| 10699164 | 43802 | 0 | None | 151 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145190 | 43802 | 0 | None | 151 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 499 | 10849 | 18 | None | -1 | 14 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 52942381 | 24664 | 0 | None | -2 | 4 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259113 | 24664 | 0 | None | -2 | 4 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | ||
| 19085876 | 212593 | 0 | None | 87 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL83272 | 212593 | 0 | None | 87 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 49781447 | 24616 | 0 | None | 3 | 4 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1258988 | 24616 | 0 | None | 3 | 4 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 49781892 | 24673 | 0 | None | -1 | 4 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259144 | 24673 | 0 | None | -1 | 4 | Bovine | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 44289248 | 175755 | 0 | None | 4 | 7 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL43905 | 175755 | 0 | None | 4 | 7 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 76315111 | 91593 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234443 | 91593 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| 10716965 | 174739 | 0 | None | 10 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL431720 | 174739 | 0 | None | 10 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10812130 | 205960 | 0 | None | 2 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
| CHEMBL58956 | 205960 | 0 | None | 2 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
| 10693231 | 209541 | 0 | None | -2 | 5 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL62033 | 209541 | 0 | None | -2 | 5 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 11039289 | 123618 | 0 | None | 12 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL338029 | 123618 | 0 | None | 12 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 34580 | 24663 | 2 | None | -1 | 4 | Bovine | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259112 | 24663 | 2 | None | -1 | 4 | Bovine | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | ||
| 19085926 | 212322 | 0 | None | 199 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL81006 | 212322 | 0 | None | 199 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | ||
| 9959671 | 39445 | 0 | None | 363 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL141322 | 39445 | 0 | None | 363 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10721751 | 41404 | 0 | None | 1412 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL142981 | 41404 | 0 | None | 1412 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10031709 | 44085 | 0 | None | 2511 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145411 | 44085 | 0 | None | 2511 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10651219 | 40512 | 0 | None | 1000 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| CHEMBL142236 | 40512 | 0 | None | 1000 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| 10650726 | 40532 | 0 | None | 87 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | ||
| CHEMBL142251 | 40532 | 0 | None | 87 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | ||
| 10531476 | 41119 | 0 | None | 269 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | ||
| CHEMBL142743 | 41119 | 0 | None | 269 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | ||
| 10747201 | 43656 | 0 | None | 1288 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| CHEMBL145072 | 43656 | 0 | None | 1288 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| 10699164 | 43802 | 0 | None | 151 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145190 | 43802 | 0 | None | 151 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10745380 | 45565 | 0 | None | 177 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL146654 | 45565 | 0 | None | 177 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10438280 | 108375 | 0 | None | 446 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | ||
| CHEMBL298713 | 108375 | 0 | None | 446 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | ||
| 11802456 | 177739 | 0 | None | 316 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| CHEMBL445577 | 177739 | 0 | None | 316 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| 10627090 | 41335 | 0 | None | 1288 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL142929 | 41335 | 0 | None | 1288 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10721751 | 41404 | 0 | None | 1412 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL142981 | 41404 | 0 | None | 1412 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10438280 | 108375 | 0 | None | 446 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL298713 | 108375 | 0 | None | 446 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10578715 | 109452 | 0 | None | 144 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL304591 | 109452 | 0 | None | 144 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 10815593 | 213818 | 0 | None | 436 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| CHEMBL91616 | 213818 | 0 | None | 436 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| 19085866 | 112194 | 0 | None | 117 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL311890 | 112194 | 0 | None | 117 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 49781893 | 24674 | 0 | None | 1 | 4 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259145 | 24674 | 0 | None | 1 | 4 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 10673657 | 213512 | 0 | None | 1071 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL89927 | 213512 | 0 | None | 1071 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| 9985476 | 44058 | 0 | None | 912 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145394 | 44058 | 0 | None | 912 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 503 | 9937 | 75 | None | -1 | 33 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970166j | ||
| 129211 | 10521 | 78 | None | -7 | 16 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| 2562 | 10521 | 78 | None | -7 | 16 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| 488 | 10521 | 78 | None | -7 | 16 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| CHEMBL836 | 10521 | 78 | None | -7 | 16 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| DB00706 | 10521 | 78 | None | -7 | 16 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970166j | ||
| 10499343 | 213304 | 0 | None | 79 | 2 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 369 | 8 | 2 | 6 | 1.8 | COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 | 10.1021/jm970166j | ||
| CHEMBL88512 | 213304 | 0 | None | 79 | 2 | Bovine | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 369 | 8 | 2 | 6 | 1.8 | COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 | 10.1021/jm970166j | ||
| 19085820 | 212583 | 0 | None | 1023 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL83226 | 212583 | 0 | None | 1023 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | ||
| 10576661 | 213637 | 0 | None | 1230 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL90652 | 213637 | 0 | None | 1230 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1016/j.ejmech.2017.03.025 | ||
| 129211 | 10521 | 78 | None | -2 | 16 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2011.04.032 | ||
| 2562 | 10521 | 78 | None | -2 | 16 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2011.04.032 | ||
| 488 | 10521 | 78 | None | -2 | 16 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL836 | 10521 | 78 | None | -2 | 16 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2011.04.032 | ||
| DB00706 | 10521 | 78 | None | -2 | 16 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2011.04.032 | ||
| 10576661 | 213637 | 0 | None | 1230 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| CHEMBL90652 | 213637 | 0 | None | 1230 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| 10649481 | 213597 | 0 | None | 123 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL90420 | 213597 | 0 | None | 123 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1016/j.ejmech.2017.03.025 | ||
| 11638677 | 91364 | 0 | None | -5 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2153423 | 91364 | 0 | None | -5 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2220978 | 91364 | 0 | None | -5 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| 10840194 | 118605 | 0 | None | 245 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL328763 | 118605 | 0 | None | 245 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 10815240 | 213631 | 0 | None | 33 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL90606 | 213631 | 0 | None | 33 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.12.063 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.12.063 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.12.063 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.12.063 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.12.063 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.12.063 | ||
| 463 | 8187 | 22 | None | 5 | 13 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| 6918097 | 8187 | 22 | None | 5 | 13 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| 837 | 8187 | 22 | None | 5 | 13 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| CHEMBL2051956 | 8187 | 22 | None | 5 | 13 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| DB14068 | 8187 | 22 | None | 5 | 13 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | ||
| 44298624 | 202486 | 0 | None | 63 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.5 | Cc1c[nH]c(=O)n(CCCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL55695 | 202486 | 0 | None | 63 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.5 | Cc1c[nH]c(=O)n(CCCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 19085881 | 212547 | 0 | None | 478 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL82877 | 212547 | 0 | None | 478 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 10530491 | 109382 | 0 | None | 234 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 540 | 9 | 1 | 6 | 4.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL304132 | 109382 | 0 | None | 234 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 540 | 9 | 1 | 6 | 4.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm030480f | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm030480f | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm030480f | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm030480f | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2004.11.032 | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2004.11.032 | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1016/j.bmcl.2004.11.032 | ||
| 137659584 | 166161 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 548 | 9 | 3 | 6 | 3.2 | COCC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(C#N)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL4100620 | 166161 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 548 | 9 | 3 | 6 | 3.2 | COCC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(C#N)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/acs.jmedchem.9b01465 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/acs.jmedchem.9b01465 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/acs.jmedchem.9b01465 | ||
| 71508712 | 93843 | 0 | None | 40 | 5 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2326175 | 93843 | 0 | None | 40 | 5 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 49782998 | 24689 | 0 | None | 1 | 6 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259190 | 24689 | 0 | None | 1 | 6 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 10696866 | 213712 | 0 | None | 6165 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| CHEMBL91091 | 213712 | 0 | None | 6165 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| 10974101 | 123731 | 0 | None | 10 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL338608 | 123731 | 0 | None | 10 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 14423371 | 104230 | 1 | None | -1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL27013 | 104230 | 1 | None | -1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 9830741 | 214635 | 1 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
| CHEMBL96467 | 214635 | 1 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
| 9830741 | 214635 | 1 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL96467 | 214635 | 1 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2004.11.032 | ||
| 9913449 | 113229 | 1 | None | 13 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL313990 | 113229 | 1 | None | 13 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 137637836 | 162860 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 509 | 9 | 3 | 6 | 3.1 | COCC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)cc2)NCN1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL4062896 | 162860 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 509 | 9 | 3 | 6 | 3.1 | COCC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)cc2)NCN1 | 10.1016/j.ejmech.2017.03.025 | ||
| 10719222 | 214226 | 0 | None | 141 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL94167 | 214226 | 0 | None | 141 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| 49781232 | 24696 | 0 | None | -1 | 5 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259216 | 24696 | 0 | None | -1 | 5 | Bovine | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
| 10767607 | 113906 | 0 | None | 831 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| CHEMBL316100 | 113906 | 0 | None | 831 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| 10791844 | 213936 | 0 | None | 512 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL92328 | 213936 | 0 | None | 512 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 10719222 | 214226 | 0 | None | 141 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| CHEMBL94167 | 214226 | 0 | None | 141 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| 9830741 | 214635 | 1 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| CHEMBL96467 | 214635 | 1 | None | 1 | 7 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| 10649481 | 213597 | 0 | None | 123 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL90420 | 213597 | 0 | None | 123 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
| 10839105 | 213598 | 0 | None | 660 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL90421 | 213598 | 0 | None | 660 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL179334 | 70077 | 0 | None | 977 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 10674564 | 210716 | 0 | None | 83 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL69264 | 210716 | 0 | None | 83 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 10074286 | 212283 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL80730 | 212283 | 0 | None | 2 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL179334 | 70077 | 0 | None | 977 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 137646446 | 164451 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 518 | 7 | 2 | 3 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)c(F)c3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL4081581 | 164451 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 518 | 7 | 2 | 3 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)c(F)c3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1016/j.ejmech.2017.03.025 | ||
| 9932698 | 24681 | 0 | None | 3 | 6 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
| CHEMBL1259172 | 24681 | 0 | None | 3 | 6 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
| 10697623 | 113944 | 0 | None | 2398 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| CHEMBL316358 | 113944 | 0 | None | 2398 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| 13911290 | 34944 | 0 | None | 1 | 6 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13735 | 34944 | 0 | None | 1 | 6 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | ||
| 10005161 | 212028 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | ||
| CHEMBL78874 | 212028 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | ||
| 49781450 | 24629 | 0 | None | 1 | 4 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259023 | 24629 | 0 | None | 1 | 4 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | ||
| 9916549 | 128342 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL358595 | 128342 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 463 | 8187 | 22 | None | 5 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| 6918097 | 8187 | 22 | None | 5 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| 837 | 8187 | 22 | None | 5 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| CHEMBL2051956 | 8187 | 22 | None | 5 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| DB14068 | 8187 | 22 | None | 5 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| 9872851 | 103860 | 3 | None | 79 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | ||
| CHEMBL267336 | 103860 | 3 | None | 79 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | ||
| 60820 | 11080 | 14 | None | -10 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1021/jm00034a003 | ||
| CHEMBL10085 | 11080 | 14 | None | -10 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | 10.1021/jm00034a003 | ||
| 10674055 | 210995 | 0 | None | 50 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL70892 | 210995 | 0 | None | 50 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2004.11.032 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2004.11.032 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2004.11.032 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2004.11.032 | ||
| 44390739 | 71116 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 361 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1CSc2ccccc2O1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL181215 | 71116 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 361 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1CSc2ccccc2O1 | 10.1016/j.bmcl.2004.11.032 | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| 18738386 | 210817 | 0 | None | 125 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL69848 | 210817 | 0 | None | 125 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 11984570 | 99579 | 0 | None | 2 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243694 | 99579 | 0 | None | 2 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 49781452 | 24638 | 0 | None | -1 | 4 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259042 | 24638 | 0 | None | -1 | 4 | Bovine | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | ||
| 10722045 | 39589 | 0 | None | 436 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | ||
| CHEMBL141444 | 39589 | 0 | None | 436 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | ||
| 10626726 | 40718 | 0 | None | 70 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL142398 | 40718 | 0 | None | 70 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10371061 | 43475 | 0 | None | 1380 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL144925 | 43475 | 0 | None | 1380 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10627155 | 43993 | 0 | None | 125 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145338 | 43993 | 0 | None | 125 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10554140 | 125895 | 0 | None | 38 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL342731 | 125895 | 0 | None | 38 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| 9916549 | 128342 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL358595 | 128342 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10371061 | 43475 | 0 | None | 1380 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL144925 | 43475 | 0 | None | 1380 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10745870 | 43492 | 0 | None | 3090 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL144938 | 43492 | 0 | None | 3090 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10720893 | 44142 | 0 | None | 181 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL145459 | 44142 | 0 | None | 181 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10675068 | 103225 | 0 | None | 758 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL262217 | 103225 | 0 | None | 758 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10508330 | 125572 | 0 | None | 99 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL342126 | 125572 | 0 | None | 99 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10507500 | 128472 | 0 | None | 1258 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL358785 | 128472 | 0 | None | 1258 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10555024 | 128667 | 0 | None | 2454 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL359012 | 128667 | 0 | None | 2454 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 4013695 | 108792 | 20 | None | 1 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm00110a014 | ||
| CHEMBL301707 | 108792 | 20 | None | 1 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm00110a014 | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10527469 | 163044 | 3 | None | 1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 163044 | 3 | None | 1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 10916771 | 111991 | 0 | None | 9 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL311479 | 111991 | 0 | None | 9 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 10527469 | 163044 | 3 | None | 1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL40650 | 163044 | 3 | None | 1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1016/j.bmcl.2004.11.032 | ||
| 9828476 | 213703 | 0 | None | 58 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL91022 | 213703 | 0 | None | 58 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 9828476 | 92057 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 4.4 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260360 | 92057 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 4.4 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 9830741 | 214635 | 1 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
| CHEMBL96467 | 214635 | 1 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
| 10626910 | 210563 | 0 | None | 537 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL68203 | 210563 | 0 | None | 537 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 9826801 | 114714 | 0 | None | 4 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL319352 | 114714 | 0 | None | 4 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 135418497 | 69813 | 0 | None | 1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
| CHEMBL1788222 | 69813 | 0 | None | 1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2006.05.002 | ||
| 9826801 | 114714 | 0 | None | 4 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL319352 | 114714 | 0 | None | 4 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | ||
| 9826801 | 114714 | 0 | None | 4 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
| CHEMBL319352 | 114714 | 0 | None | 4 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| 10369288 | 214037 | 0 | None | 169 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL92951 | 214037 | 0 | None | 169 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 10456471 | 107309 | 0 | None | 1 | 5 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL291303 | 107309 | 0 | None | 1 | 5 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 9913449 | 113229 | 1 | None | 13 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL313990 | 113229 | 1 | None | 13 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 44300165 | 108628 | 0 | None | 66 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL300540 | 108628 | 0 | None | 66 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 10369288 | 214037 | 0 | None | 169 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL92951 | 214037 | 0 | None | 169 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| 49781236 | 24615 | 0 | None | -1 | 4 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1258987 | 24615 | 0 | None | -1 | 4 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | ||
| 49781449 | 24623 | 0 | None | 2 | 4 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259006 | 24623 | 0 | None | 2 | 4 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | ||
| 9847196 | 36954 | 0 | None | 1 | 5 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13903 | 36954 | 0 | None | 1 | 5 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 10606670 | 205871 | 0 | None | 13 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL58862 | 205871 | 0 | None | 13 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | ||
| 3567002 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/j.bmcl.2004.11.032 | ||
| 7381 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL56331 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/j.bmcl.2004.11.032 | ||
| 10624993 | 118464 | 0 | None | 630 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL328658 | 118464 | 0 | None | 630 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 11626704 | 79229 | 0 | None | -5 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL198860 | 79229 | 0 | None | -5 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1007/s00044-010-9379-1 | ||
| 44289437 | 176642 | 0 | None | -1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| CHEMBL44403 | 176642 | 0 | None | -1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| 11626704 | 79229 | 0 | None | -5 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL198860 | 79229 | 0 | None | -5 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1007/s00044-010-9379-1 | ||
| 11626704 | 79229 | 0 | None | -5 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | ||
| CHEMBL198860 | 79229 | 0 | None | -5 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | ||
| 11583392 | 79689 | 1 | None | -7 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | ||
| CHEMBL200446 | 79689 | 1 | None | -7 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | ||
| 3567002 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | ||
| 7381 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL56331 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | ||
| 44298650 | 169934 | 0 | None | 100 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL417954 | 169934 | 0 | None | 100 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 4431 | 9506 | 25 | None | 1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | ||
| 73 | 9506 | 25 | None | 1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL8618 | 9506 | 25 | None | 1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | ||
| 132891 | 12084 | 14 | None | 2 | 5 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
| CHEMBL106737 | 12084 | 14 | None | 2 | 5 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
| 49781235 | 24702 | 0 | None | -1 | 4 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259232 | 24702 | 0 | None | -1 | 4 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | ||
| 9985476 | 44058 | 0 | None | 912 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145394 | 44058 | 0 | None | 912 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 52949448 | 23433 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242352 | 23433 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 57393527 | 78333 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
| CHEMBL1946777 | 78333 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
| CHEMBL1963046 | 78333 | 0 | None | 3 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
| 4013695 | 108792 | 20 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL301707 | 108792 | 20 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 4013695 | 108792 | 20 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL301707 | 108792 | 20 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | ||
| 19085829 | 212625 | 0 | None | 186 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL83592 | 212625 | 0 | None | 186 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 10647175 | 138233 | 0 | None | 2 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
| CHEMBL369154 | 138233 | 0 | None | 2 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | ||
| 10478121 | 177581 | 0 | None | 1 | 5 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| CHEMBL445325 | 177581 | 0 | None | 1 | 5 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | ||
| 10527469 | 163044 | 3 | None | -1 | 16 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL40650 | 163044 | 3 | None | -1 | 16 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 490 | 6979 | 8 | None | -2 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9890547 | 6979 | 8 | None | -2 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL268758 | 6979 | 8 | None | -2 | 12 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 18187410 | 111675 | 0 | None | 10 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL311247 | 111675 | 0 | None | 10 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 11092254 | 212245 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL80458 | 212245 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | ||
| 9843389 | 93832 | 0 | None | 245 | 2 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 3 | 0 | 6 | 3.8 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nnn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325935 | 93832 | 0 | None | 245 | 2 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 390 | 3 | 0 | 6 | 3.8 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nnn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 12765746 | 109057 | 4 | None | -3 | 9 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL303313 | 109057 | 4 | None | -3 | 9 | Bovine | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
| 10698013 | 107216 | 0 | None | 2 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL290519 | 107216 | 0 | None | 2 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 4013695 | 108792 | 20 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL301707 | 108792 | 20 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 11430491 | 69775 | 0 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178673 | 69775 | 0 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 10792897 | 174693 | 0 | None | 186 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL431362 | 174693 | 0 | None | 186 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 10673690 | 107278 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL291073 | 107278 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10721171 | 44484 | 0 | None | 398 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145770 | 44484 | 0 | None | 398 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 11134424 | 111508 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | ||
| CHEMBL310599 | 111508 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 10836245 | 109524 | 0 | None | 10 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL305029 | 109524 | 0 | None | 10 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL552830 | 109524 | 0 | None | 10 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 122179430 | 128219 | 0 | None | -3 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| CHEMBL3582270 | 128219 | 0 | None | -3 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| 44447061 | 161147 | 0 | None | -1 | 4 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 474 | 5 | 1 | 5 | 4.3 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL398711 | 161147 | 0 | None | -1 | 4 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 474 | 5 | 1 | 5 | 4.3 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F | 10.1016/j.bmcl.2007.11.106 | ||
| 10626493 | 214166 | 0 | None | 239 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | ||
| CHEMBL93843 | 214166 | 0 | None | 239 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | ||
| 10770007 | 41368 | 0 | None | 50 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL142957 | 41368 | 0 | None | 50 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 10768829 | 126162 | 0 | None | 32 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL344525 | 126162 | 0 | None | 32 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10722099 | 127872 | 0 | None | 190 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL357172 | 127872 | 0 | None | 190 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10721476 | 43773 | 0 | None | 691 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL145170 | 43773 | 0 | None | 691 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10769621 | 125771 | 0 | None | 2290 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL342543 | 125771 | 0 | None | 2290 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 11712470 | 78780 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL197442 | 78780 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1007/s00044-010-9379-1 | ||
| 11712470 | 78780 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL197442 | 78780 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1007/s00044-010-9379-1 | ||
| 11712470 | 78780 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | ||
| CHEMBL197442 | 78780 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | ||
| 44298626 | 202256 | 0 | None | 25 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL55290 | 202256 | 0 | None | 25 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 9960497 | 107252 | 0 | None | 154 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| CHEMBL290860 | 107252 | 0 | None | 154 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 3416533 | 201768 | 6 | None | 4 | 2 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 447 | 5 | 0 | 8 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)c3c(c4ccccc4n3C)n(C)c2=O)CC1 | 10.1021/jm00110a014 | ||
| CHEMBL54716 | 201768 | 6 | None | 4 | 2 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 447 | 5 | 0 | 8 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)c3c(c4ccccc4n3C)n(C)c2=O)CC1 | 10.1021/jm00110a014 | ||
| 10961351 | 170280 | 0 | None | 1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | ||
| CHEMBL420205 | 170280 | 0 | None | 1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | ||
| 71508640 | 93822 | 0 | None | 46 | 2 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccnn4C)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325926 | 93822 | 0 | None | 46 | 2 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccnn4C)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 10097792 | 125367 | 0 | None | -1 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL341665 | 125367 | 0 | None | -1 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 90645597 | 119266 | 0 | None | -2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298750 | 119266 | 0 | None | -2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 10841070 | 44453 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145746 | 44453 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10504673 | 209452 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL61483 | 209452 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 9894665 | 110590 | 1 | None | 30 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL309106 | 110590 | 1 | None | 30 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 10474042 | 177032 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | ||
| CHEMBL444590 | 177032 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | ||
| 9955302 | 106943 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL287965 | 106943 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 50905381 | 63124 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630938 | 63124 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 49782792 | 24683 | 0 | None | 1 | 6 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259174 | 24683 | 0 | None | 1 | 6 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 148842 | 10718 | 27 | None | 8 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
| 496 | 10718 | 27 | None | 8 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
| CHEMBL278865 | 10718 | 27 | None | 8 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | ||
| 13911290 | 34944 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13735 | 34944 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 50905585 | 63125 | 0 | None | -1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630939 | 63125 | 0 | None | -1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 491 | 6980 | 9 | None | -4 | 12 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891167 | 6980 | 9 | None | -4 | 12 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13856 | 6980 | 9 | None | -4 | 12 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 499 | 10849 | 18 | None | -1 | 14 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 10599007 | 211294 | 0 | None | -1 | 8 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| CHEMBL72657 | 211294 | 0 | None | -1 | 8 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| 10599007 | 211294 | 0 | None | 1 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL72657 | 211294 | 0 | None | 1 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 10917953 | 214767 | 0 | None | 1 | 10 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL97242 | 214767 | 0 | None | 1 | 10 | Bovine | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 10743310 | 176011 | 0 | None | 3 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
| CHEMBL441032 | 176011 | 0 | None | 3 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
| 9830741 | 214635 | 1 | None | -1 | 7 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
| CHEMBL96467 | 214635 | 1 | None | -1 | 7 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | ||
| 44275505 | 103576 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 556 | 10 | 2 | 7 | 2.6 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)C(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1 | 10.1021/jm030480f | ||
| CHEMBL265001 | 103576 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 556 | 10 | 2 | 7 | 2.6 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)C(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1 | 10.1021/jm030480f | ||
| 9874983 | 72241 | 18 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 557 | 9 | 2 | 7 | 3.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL182998 | 72241 | 18 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 557 | 9 | 2 | 7 | 3.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | ||
| 9830292 | 174968 | 0 | None | 562 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL433284 | 174968 | 0 | None | 562 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 2435 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
| 60149 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
| 98 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
| CHEMBL12713 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
| DB06144 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | ||
| 2435 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
| 60149 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
| 98 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL12713 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
| DB06144 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | ||
| 2435 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
| 60149 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
| 98 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
| CHEMBL12713 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
| DB06144 | 10362 | 83 | None | -3 | 48 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | ||
| 9847845 | 35226 | 0 | None | -1 | 6 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13754 | 35226 | 0 | None | -1 | 6 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 487 | 10406 | 21 | None | 1 | 12 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| 60602 | 10406 | 21 | None | 1 | 12 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| CHEMBL405355 | 10406 | 21 | None | 1 | 12 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| DB09239 | 10406 | 21 | None | 1 | 12 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| 44300129 | 174207 | 0 | None | 912 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL429697 | 174207 | 0 | None | 912 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 10838523 | 107977 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL295741 | 107977 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 134149596 | 155244 | 0 | None | 4 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3938038 | 155244 | 0 | None | 4 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 10767264 | 213773 | 0 | None | 102 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL91405 | 213773 | 0 | None | 102 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | ||
| 10839825 | 213520 | 0 | None | 2818 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL89965 | 213520 | 0 | None | 2818 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| 10552608 | 107194 | 0 | None | 8 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL290243 | 107194 | 0 | None | 8 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 11133288 | 172812 | 0 | None | 7 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL42558 | 172812 | 0 | None | 7 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| 9865801 | 101499 | 10 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | ||
| CHEMBL25300 | 101499 | 10 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | ||
| 11633517 | 79300 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | ||
| CHEMBL199080 | 79300 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | ||
| 10572854 | 119343 | 0 | None | 2 | 3 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL330060 | 119343 | 0 | None | 2 | 3 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10525639 | 213924 | 0 | None | 15 | 2 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 8 | 1 | 6 | 3.9 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL92261 | 213924 | 0 | None | 15 | 2 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 8 | 1 | 6 | 3.9 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 10554957 | 39767 | 0 | None | 1000 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | ||
| CHEMBL141604 | 39767 | 0 | None | 1000 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | ||
| 10626772 | 43010 | 0 | None | 776 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | ||
| CHEMBL144534 | 43010 | 0 | None | 776 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | ||
| 10650129 | 44282 | 0 | None | 162 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145587 | 44282 | 0 | None | 162 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10841070 | 44453 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145746 | 44453 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10815549 | 128792 | 0 | None | 234 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL359421 | 128792 | 0 | None | 234 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10032383 | 116887 | 0 | None | 194 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 136680387 | 116887 | 0 | None | 194 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL323579 | 116887 | 0 | None | 194 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44390708 | 71045 | 0 | None | 630 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL180932 | 71045 | 0 | None | 630 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| 9865801 | 101499 | 10 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL25300 | 101499 | 10 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1016/j.bmcl.2004.11.032 | ||
| 2389 | 10104 | 118 | None | -6 | 66 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 10104 | 118 | None | -6 | 66 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 10104 | 118 | None | -6 | 66 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 10104 | 118 | None | -6 | 66 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 10104 | 118 | None | -6 | 66 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 44300111 | 107637 | 0 | None | 794 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL293515 | 107637 | 0 | None | 794 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 44431194 | 99335 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243229 | 99335 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 9959689 | 108590 | 0 | None | 281 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL300222 | 108590 | 0 | None | 281 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 10393665 | 40696 | 0 | None | 47 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL142383 | 40696 | 0 | None | 47 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 10556164 | 128474 | 0 | None | 549 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL358795 | 128474 | 0 | None | 549 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 10816815 | 126133 | 0 | None | 776 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL344339 | 126133 | 0 | None | 776 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10839391 | 164149 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL40780 | 164149 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 101333429 | 123854 | 0 | None | 588 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
| CHEMBL3392247 | 123854 | 0 | None | 588 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | ||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| 10624165 | 107338 | 0 | None | 3 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL291528 | 107338 | 0 | None | 3 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10506729 | 210478 | 0 | None | 53 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL67552 | 210478 | 0 | None | 53 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 49781234 | 24701 | 0 | None | -1 | 4 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259231 | 24701 | 0 | None | -1 | 4 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | ||
| 10344976 | 107992 | 2 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL29591 | 107992 | 2 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 49782791 | 24682 | 0 | None | 2 | 6 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259173 | 24682 | 0 | None | 2 | 6 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 10506222 | 118263 | 0 | None | 691 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL327716 | 118263 | 0 | None | 691 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1007/s00044-010-9379-1 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1007/s00044-010-9379-1 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1007/s00044-010-9379-1 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1007/s00044-010-9379-1 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1007/s00044-010-9379-1 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1007/s00044-010-9379-1 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | ||
| 10527466 | 209466 | 0 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL61598 | 209466 | 0 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 49782794 | 24688 | 0 | None | -1 | 6 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259189 | 24688 | 0 | None | -1 | 6 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 9891166 | 40386 | 0 | None | 1 | 5 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL14213 | 40386 | 0 | None | 1 | 5 | Bovine | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 10994812 | 211875 | 0 | None | 3 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL77618 | 211875 | 0 | None | 3 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 44299974 | 108671 | 0 | None | 89 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL300821 | 108671 | 0 | None | 89 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 10553935 | 168599 | 0 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL41444 | 168599 | 0 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10529370 | 213718 | 0 | None | 524 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL91125 | 213718 | 0 | None | 524 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1016/j.ejmech.2017.03.025 | ||
| 44447063 | 101359 | 0 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 4.2 | CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252031 | 101359 | 0 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 4.2 | CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 10529370 | 213718 | 0 | None | 524 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL91125 | 213718 | 0 | None | 524 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 10602912 | 109515 | 0 | None | 301 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL304977 | 109515 | 0 | None | 301 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 44300087 | 103196 | 0 | None | 67 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL262002 | 103196 | 0 | None | 67 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 10364994 | 174664 | 0 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | ||
| CHEMBL43116 | 174664 | 0 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | ||
| 10364994 | 174664 | 0 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL43116 | 174664 | 0 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 10095156 | 85318 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL2112073 | 85318 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10678154 | 177380 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL445071 | 177380 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10414908 | 209543 | 0 | None | 204 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL62045 | 209543 | 0 | None | 204 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 71817386 | 109363 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419769 | 109363 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL3040851 | 109363 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 11049209 | 214184 | 0 | None | 8 | 9 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL93923 | 214184 | 0 | None | 8 | 9 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 44447068 | 160902 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 6 | 1 | 5 | 4.4 | CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL398525 | 160902 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 6 | 1 | 5 | 4.4 | CC(C)C(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 10647790 | 108168 | 0 | None | 4 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL297218 | 108168 | 0 | None | 4 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10507220 | 128054 | 0 | None | 316 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
| CHEMBL357842 | 128054 | 0 | None | 316 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
| 10626843 | 175444 | 0 | None | 67 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL436407 | 175444 | 0 | None | 67 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10032383 | 116887 | 0 | None | 194 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 136680387 | 116887 | 0 | None | 194 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL323579 | 116887 | 0 | None | 194 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 18738385 | 210503 | 0 | None | 181 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL67713 | 210503 | 0 | None | 181 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 122065 | 196328 | 3 | None | 2 | 8 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 1.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | 10.1021/jm970159v | ||
| CHEMBL51433 | 196328 | 3 | None | 2 | 8 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 1.5 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 | 10.1021/jm970159v | ||
| 2865 | 10915 | 73 | None | -4 | 53 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmcl.2007.11.106 | ||
| 59 | 10915 | 73 | None | -4 | 53 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmcl.2007.11.106 | ||
| 60854 | 10915 | 73 | None | -4 | 53 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL708 | 10915 | 73 | None | -4 | 53 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmcl.2007.11.106 | ||
| DB00246 | 10915 | 73 | None | -4 | 53 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmcl.2007.11.106 | ||
| 49781453 | 24639 | 0 | None | -1 | 4 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259043 | 24639 | 0 | None | -1 | 4 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | ||
| 10393665 | 40696 | 0 | None | 47 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL142383 | 40696 | 0 | None | 47 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 9916549 | 128342 | 0 | None | 1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL358595 | 128342 | 0 | None | 1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 11757736 | 40521 | 0 | None | 870 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL142243 | 40521 | 0 | None | 870 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10840177 | 44890 | 0 | None | 537 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL146109 | 44890 | 0 | None | 537 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 9891213 | 168281 | 0 | None | -12 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128084 | 168281 | 0 | None | -12 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 489 | 6933 | 28 | None | -4 | 12 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm970166j | ||
| 5640 | 6933 | 28 | None | -4 | 12 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm970166j | ||
| CHEMBL420060 | 6933 | 28 | None | -4 | 12 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm970166j | ||
| 44298447 | 107576 | 0 | None | 5 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL293149 | 107576 | 0 | None | 5 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | ||
| 10029146 | 212470 | 0 | None | 331 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| CHEMBL82267 | 212470 | 0 | None | 331 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| 11800077 | 107288 | 0 | None | 2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL291154 | 107288 | 0 | None | 2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 44289261 | 171691 | 0 | None | 12 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| CHEMBL42231 | 171691 | 0 | None | 12 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| 52942395 | 24693 | 0 | None | 3 | 6 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL1259203 | 24693 | 0 | None | 3 | 6 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 49781448 | 24622 | 0 | None | 1 | 4 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | ||
| CHEMBL1259005 | 24622 | 0 | None | 1 | 4 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | ||
| 52942395 | 24693 | 0 | None | 3 | 6 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259203 | 24693 | 0 | None | 3 | 6 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | ||
| 10744687 | 107202 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL290388 | 107202 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 13911290 | 34944 | 0 | None | -2 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13735 | 34944 | 0 | None | -2 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 10769331 | 118310 | 0 | None | 79 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
| CHEMBL327931 | 118310 | 0 | None | 79 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | ||
| 10769331 | 92067 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260370 | 92067 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1007/s00044-004-0120-9 | ||
| 15054191 | 204530 | 0 | None | 4 | 2 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 4 | 2 | 5 | 2.6 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm00110a014 | ||
| CHEMBL57163 | 204530 | 0 | None | 4 | 2 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 4 | 2 | 5 | 2.6 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm00110a014 | ||
| 10917316 | 212266 | 0 | None | 10 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL80599 | 212266 | 0 | None | 10 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 10411384 | 163943 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL40754 | 163943 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 71508713 | 93844 | 0 | None | 295 | 2 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2326176 | 93844 | 0 | None | 295 | 2 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 44358574 | 126147 | 0 | None | -2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | ||
| CHEMBL344432 | 126147 | 0 | None | -2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | ||
| 44431607 | 154373 | 0 | None | 42 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL393105 | 154373 | 0 | None | 42 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 12765746 | 109057 | 4 | None | -3 | 9 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
| CHEMBL303313 | 109057 | 4 | None | -3 | 9 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
| 11092112 | 214407 | 0 | None | 3 | 9 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
| CHEMBL95175 | 214407 | 0 | None | 3 | 9 | Bovine | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
| 10844296 | 208194 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL60471 | 208194 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 9847196 | 36954 | 0 | None | -2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13903 | 36954 | 0 | None | -2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980506g | ||
| 9916549 | 128342 | 0 | None | -1 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL358595 | 128342 | 0 | None | -1 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1007/s00044-010-9379-1 | ||
| 9824384 | 125565 | 1 | None | -14 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL342062 | 125565 | 1 | None | -14 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 10718317 | 107302 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL291262 | 107302 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10437624 | 128049 | 0 | None | 398 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL357828 | 128049 | 0 | None | 398 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 499 | 10849 | 18 | None | -1 | 14 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm950759z | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm950759z | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm950759z | ||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1016/j.bmcl.2004.11.032 | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1016/j.bmcl.2004.11.032 | ||
| 44300107 | 107463 | 0 | None | 114 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL292365 | 107463 | 0 | None | 114 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 44294957 | 197823 | 0 | None | 295 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL51871 | 197823 | 0 | None | 295 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | ||
| 10697912 | 213771 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 7 | 2 | 5 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL91403 | 213771 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 7 | 2 | 5 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| 10530552 | 40019 | 0 | None | 26 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL141821 | 40019 | 0 | None | 26 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | ||
| 24897950 | 63126 | 0 | None | -2 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630940 | 63126 | 0 | None | -2 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | ||
| 499 | 10849 | 18 | None | -1 | 14 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
| 11016418 | 112899 | 0 | None | 5 | 9 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL313424 | 112899 | 0 | None | 5 | 9 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 3157 | 8252 | 71 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 7170 | 8252 | 71 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 954 | 8252 | 71 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| DB00590 | 8252 | 71 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 10434440 | 212273 | 0 | None | -4 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL80641 | 212273 | 0 | None | -4 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | ||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | ||
| 46934643 | 23449 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242632 | 23449 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 145956955 | 168880 | 0 | None | -2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4161165 | 168880 | 0 | None | -2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 10742076 | 107094 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL289361 | 107094 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 44390708 | 71045 | 0 | None | 630 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | ||
| CHEMBL180932 | 71045 | 0 | None | 630 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | ||
| 10834793 | 91354 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153557 | 91354 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220925 | 91354 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 56946573 | 78301 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
| CHEMBL1946780 | 78301 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
| CHEMBL1962870 | 78301 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | ||
| 9866614 | 21487 | 1 | None | 120 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL12062 | 21487 | 1 | None | 120 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 135559170 | 108837 | 0 | None | 8 | 7 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1 | 10.1021/jm970159v | ||
| CHEMBL302021 | 108837 | 0 | None | 8 | 7 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1 | 10.1021/jm970159v | ||
| 107715 | 207724 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL1255837 | 207724 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL601773 | 207724 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| 9866614 | 21487 | 1 | None | 120 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12062 | 21487 | 1 | None | 120 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 10792898 | 210724 | 0 | None | 93 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL69295 | 210724 | 0 | None | 93 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 9913988 | 24687 | 0 | None | -1 | 4 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
| CHEMBL1259188 | 24687 | 0 | None | -1 | 4 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | ||
| 1238 | 209953 | 24 | None | -3 | 16 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL64249 | 209953 | 24 | None | -3 | 16 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
| 10552656 | 168091 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
| CHEMBL41234 | 168091 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | ||
| 9895338 | 101220 | 0 | None | 223 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | ||
| CHEMBL25121 | 101220 | 0 | None | 223 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | ||
| 3168 | 16034 | 92 | None | 1 | 22 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1108 | 16034 | 92 | None | 1 | 22 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| DB00450 | 16034 | 92 | None | 1 | 22 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 10763038 | 209454 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL61491 | 209454 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 52946023 | 24686 | 0 | None | 2 | 6 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
| CHEMBL1259187 | 24686 | 0 | None | 2 | 6 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | ||
| 10718348 | 107021 | 0 | None | 3 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL288678 | 107021 | 0 | None | 3 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10415038 | 11211 | 0 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL101610 | 11211 | 0 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| 10368033 | 107201 | 0 | None | 5 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL290387 | 107201 | 0 | None | 5 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10368033 | 107201 | 0 | None | 5 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL290387 | 107201 | 0 | None | 5 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 6603950 | 210103 | 9 | None | -3 | 8 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL64875 | 210103 | 9 | None | -3 | 8 | Bovine | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | ||
| 10554913 | 44120 | 0 | None | 11 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145443 | 44120 | 0 | None | 11 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10745766 | 44258 | 0 | None | 141 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
| CHEMBL145562 | 44258 | 0 | None | 141 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
| 10674333 | 44268 | 0 | None | 239 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145574 | 44268 | 0 | None | 239 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10415156 | 127916 | 0 | None | 870 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL357628 | 127916 | 0 | None | 870 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 489 | 6933 | 28 | None | -2 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 5640 | 6933 | 28 | None | -2 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| CHEMBL420060 | 6933 | 28 | None | -2 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 10741071 | 175996 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL440865 | 175996 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10478895 | 107003 | 0 | None | 2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL288530 | 107003 | 0 | None | 2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 20215436 | 35288 | 3 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 355 | 4 | 1 | 8 | 2.1 | COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL137598 | 35288 | 3 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 355 | 4 | 1 | 8 | 2.1 | COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 503 | 9937 | 75 | None | -1 | 33 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 44431551 | 93986 | 0 | None | 33 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL232780 | 93986 | 0 | None | 33 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44447067 | 101390 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 446 | 6 | 1 | 5 | 4.2 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C1CC1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252230 | 101390 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 446 | 6 | 1 | 5 | 4.2 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C1CC1 | 10.1016/j.bmcl.2007.11.106 | ||
| 10348924 | 24717 | 0 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL125989 | 24717 | 0 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 10721564 | 214129 | 0 | None | 33 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL93623 | 214129 | 0 | None | 33 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/j.ejmech.2017.03.025 | ||
| 10721564 | 214129 | 0 | None | 33 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
| CHEMBL93623 | 214129 | 0 | None | 33 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
| 10627003 | 211119 | 0 | None | 53 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL71580 | 211119 | 0 | None | 53 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 44431546 | 94917 | 0 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234680 | 94917 | 0 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10626911 | 108997 | 0 | None | 66 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL302940 | 108997 | 0 | None | 66 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 10625617 | 168475 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL41344 | 168475 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | ||
| 10648335 | 106938 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL287928 | 106938 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10765077 | 107038 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL288809 | 107038 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 2142 | 9870 | 58 | None | -1 | 37 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 4920903 | 9870 | 58 | None | -1 | 37 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 502 | 9870 | 58 | None | -1 | 37 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 5775 | 9870 | 58 | None | -1 | 37 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| CHEMBL597 | 9870 | 58 | None | -1 | 37 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| DB00692 | 9870 | 58 | None | -1 | 37 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm970166j | ||
| 3894573 | 10166 | 6 | None | 1 | 5 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm970166j | ||
| 495 | 10166 | 6 | None | 1 | 5 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm970166j | ||
| CHEMBL88272 | 10166 | 6 | None | 1 | 5 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm970166j | ||
| 10833725 | 213290 | 0 | None | 2 | 3 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88435 | 213290 | 0 | None | 2 | 3 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10647341 | 213713 | 0 | None | 63 | 2 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.8 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91093 | 213713 | 0 | None | 63 | 2 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.8 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 10550225 | 213861 | 0 | None | 25 | 2 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 423 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91876 | 213861 | 0 | None | 25 | 2 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 423 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 | 10.1021/jm970166j | ||
| 10524875 | 214151 | 0 | None | 15 | 3 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL93736 | 214151 | 0 | None | 15 | 3 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 9891937 | 201527 | 0 | None | 31 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL53675 | 201527 | 0 | None | 31 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 44298746 | 202411 | 0 | None | 19 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL55629 | 202411 | 0 | None | 19 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 9865577 | 119086 | 2 | None | 1 | 3 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL329160 | 119086 | 2 | None | 1 | 3 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10674840 | 210495 | 0 | None | 50 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL67648 | 210495 | 0 | None | 50 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 44431192 | 99334 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243228 | 99334 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 10917920 | 118223 | 0 | None | 7 | 10 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL327527 | 118223 | 0 | None | 7 | 10 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 56944383 | 118896 | 0 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | ||
| CHEMBL3290012 | 118896 | 0 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 5.1 | O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1 | 10.1021/jm401895u | ||
| 10603739 | 23161 | 0 | None | 46 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL123012 | 23161 | 0 | None | 46 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10698141 | 40599 | 0 | None | 21 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL142307 | 40599 | 0 | None | 21 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 11430126 | 67337 | 0 | None | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL175934 | 67337 | 0 | None | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | ||
| 10793261 | 127831 | 0 | None | 2290 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL356829 | 127831 | 0 | None | 2290 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 57402366 | 76090 | 0 | None | -1 | 5 | Pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1033 | 32 | 2 | 17 | 5.4 | COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928139 | 76090 | 0 | None | -1 | 5 | Pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1033 | 32 | 2 | 17 | 5.4 | COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 10740866 | 108872 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL302203 | 108872 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10740369 | 208642 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL60721 | 208642 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 9847196 | 36954 | 0 | None | -3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13903 | 36954 | 0 | None | -3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 49781676 | 24644 | 0 | None | 1 | 4 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259062 | 24644 | 0 | None | 1 | 4 | Bovine | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 46934639 | 23442 | 0 | None | 6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242541 | 23442 | 0 | None | 6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 69782867 | 168362 | 0 | None | -5 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129291 | 168362 | 0 | None | -5 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 44431547 | 94918 | 0 | None | 34 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234681 | 94918 | 0 | None | 34 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10721568 | 210629 | 0 | None | 32 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL68604 | 210629 | 0 | None | 32 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 2389 | 10104 | 118 | None | -6 | 66 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 10104 | 118 | None | -6 | 66 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 10104 | 118 | None | -6 | 66 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 10104 | 118 | None | -6 | 66 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 10104 | 118 | None | -6 | 66 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 10949698 | 212066 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL79161 | 212066 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 71462043 | 91343 | 0 | None | -1 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153555 | 91343 | 0 | None | -1 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220895 | 91343 | 0 | None | -1 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 44431564 | 94417 | 0 | None | 34 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233623 | 94417 | 0 | None | 34 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 9872440 | 109043 | 0 | None | 81 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1 | 10.1021/jm9905918 | ||
| CHEMBL303248 | 109043 | 0 | None | 81 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1 | 10.1021/jm9905918 | ||
| 10506673 | 210704 | 0 | None | 72 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.2 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL69143 | 210704 | 0 | None | 72 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.2 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 10047430 | 111538 | 0 | None | 117 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL310768 | 111538 | 0 | None | 117 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 44299973 | 204231 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL56974 | 204231 | 0 | None | 6 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 44295192 | 108499 | 0 | None | 338 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL299539 | 108499 | 0 | None | 338 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 9959689 | 108590 | 0 | None | 281 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL300222 | 108590 | 0 | None | 281 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 44447065 | 101387 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 4.6 | CCCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252228 | 101387 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 4.6 | CCCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 71452768 | 86346 | 0 | None | 53 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| CHEMBL2114249 | 86346 | 0 | None | 53 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| 10503057 | 109398 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL304215 | 109398 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 11519153 | 92524 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL229085 | 92524 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11519153 | 92524 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL229085 | 92524 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 44289525 | 172774 | 0 | None | 4 | 9 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| CHEMBL42539 | 172774 | 0 | None | 4 | 9 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| 10601065 | 119085 | 0 | None | 173 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| CHEMBL329143 | 119085 | 0 | None | 173 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| 90645605 | 119215 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298023 | 119215 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 10549596 | 91380 | 1 | None | -3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153553 | 91380 | 1 | None | -3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221147 | 91380 | 1 | None | -3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
| 503 | 9937 | 75 | None | -1 | 33 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | ||
| 9931976 | 67092 | 1 | None | 4 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
| CHEMBL1744044 | 67092 | 1 | None | 4 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 13155 | 10195 | 0 | None | -16 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | ||
| 90645598 | 10195 | 0 | None | -16 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3297829 | 10195 | 0 | None | -16 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | ||
| 10650843 | 210628 | 0 | None | 57 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL68601 | 210628 | 0 | None | 57 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 49781677 | 24645 | 0 | None | -1 | 4 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | ||
| CHEMBL1259063 | 24645 | 0 | None | -1 | 4 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | ||
| 10841070 | 44453 | 0 | None | -2 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145746 | 44453 | 0 | None | -2 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 57390116 | 76073 | 0 | None | -1 | 5 | Pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 925 | 30 | 2 | 13 | 5.9 | COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928122 | 76073 | 0 | None | -1 | 5 | Pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 925 | 30 | 2 | 13 | 5.9 | COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 10793720 | 210850 | 0 | None | 57 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 602 | 11 | 2 | 9 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC | 10.1021/jm9905918 | ||
| CHEMBL70095 | 210850 | 0 | None | 57 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 602 | 11 | 2 | 9 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC | 10.1021/jm9905918 | ||
| 9910451 | 170909 | 0 | None | 3 | 7 | Bovine | 9.0 | pKi | = | 9 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL420997 | 170909 | 0 | None | 3 | 7 | Bovine | 9.0 | pKi | = | 9 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 10481087 | 176245 | 0 | None | 281 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL44294 | 176245 | 0 | None | 281 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 9959671 | 39445 | 0 | None | 363 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL141322 | 39445 | 0 | None | 363 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10506484 | 43572 | 0 | None | 489 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145001 | 43572 | 0 | None | 489 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 44431548 | 93826 | 0 | None | 26 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL232593 | 93826 | 0 | None | 26 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 17753379 | 94578 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233816 | 94578 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431594 | 94794 | 0 | None | 17 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234422 | 94794 | 0 | None | 17 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10928520 | 212373 | 0 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL81486 | 212373 | 0 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 497 | 10138 | 8 | None | 61 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | ||
| 9872515 | 10138 | 8 | None | 61 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | ||
| CHEMBL24777 | 10138 | 8 | None | 61 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | ||
| 148842 | 10718 | 27 | None | 8 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
| 496 | 10718 | 27 | None | 8 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
| CHEMBL278865 | 10718 | 27 | None | 8 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | ||
| 148842 | 10718 | 27 | None | 8 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1016/j.bmcl.2004.11.032 | ||
| 496 | 10718 | 27 | None | 8 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL278865 | 10718 | 27 | None | 8 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1016/j.bmcl.2004.11.032 | ||
| 609483 | 130440 | 15 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 407 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL362051 | 130440 | 15 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 407 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 90645606 | 119216 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298024 | 119216 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 56668277 | 69954 | 0 | None | 616 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL1789975 | 69954 | 0 | None | 616 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 11984570 | 99579 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243694 | 99579 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 49781680 | 24657 | 0 | None | 4 | 4 | Bovine | 9.0 | pKi | = | 9 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| CHEMBL1259097 | 24657 | 0 | None | 4 | 4 | Bovine | 9.0 | pKi | = | 9 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | ||
| 10626610 | 43526 | 0 | None | 251 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL144965 | 43526 | 0 | None | 251 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 44298770 | 108388 | 0 | None | 10 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL298838 | 108388 | 0 | None | 10 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 15840661 | 206241 | 0 | None | 31 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL59153 | 206241 | 0 | None | 31 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 10717073 | 209404 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | ||
| CHEMBL61225 | 209404 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | ||
| 10507089 | 109105 | 0 | None | 186 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL303627 | 109105 | 0 | None | 186 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 10644505 | 107541 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL292881 | 107541 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm970740r | ||
| 9895326 | 213806 | 0 | None | 177 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
| CHEMBL91550 | 213806 | 0 | None | 177 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | ||
| 9895326 | 213806 | 0 | None | 177 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL91550 | 213806 | 0 | None | 177 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1007/s00044-004-0120-9 | ||
| 10742076 | 107094 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL289361 | 107094 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 10606661 | 107716 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL294027 | 107716 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 90645592 | 119261 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298745 | 119261 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 90645596 | 119265 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298749 | 119265 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 10507411 | 40956 | 0 | None | 457 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL142606 | 40956 | 0 | None | 457 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10318686 | 111060 | 0 | None | 60 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL309969 | 111060 | 0 | None | 60 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 44295046 | 108710 | 0 | None | 117 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL301077 | 108710 | 0 | None | 117 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 57390118 | 76077 | 0 | None | -1 | 5 | Pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 953 | 32 | 2 | 13 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928126 | 76077 | 0 | None | -1 | 5 | Pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 953 | 32 | 2 | 13 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 57393628 | 76088 | 0 | None | -3 | 5 | Pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1005 | 30 | 2 | 17 | 5.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928137 | 76088 | 0 | None | -3 | 5 | Pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1005 | 30 | 2 | 17 | 5.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 49781678 | 24650 | 0 | None | -1 | 4 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | ||
| CHEMBL1259079 | 24650 | 0 | None | -1 | 4 | Bovine | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | ||
| 10555288 | 41514 | 0 | None | 45 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | ||
| CHEMBL143066 | 41514 | 0 | None | 45 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | ||
| 10769058 | 172457 | 0 | None | 208 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL424494 | 172457 | 0 | None | 208 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 44289321 | 168747 | 0 | None | 6 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL415887 | 168747 | 0 | None | 6 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 9982050 | 108711 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | ||
| CHEMBL301078 | 108711 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | ||
| 10531766 | 213776 | 0 | None | 199 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| CHEMBL91415 | 213776 | 0 | None | 199 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| 10531766 | 92063 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 5.4 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260366 | 92063 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 5.4 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1007/s00044-004-0120-9 | ||
| 52942152 | 23839 | 0 | None | -2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254743 | 23839 | 0 | None | -2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 71659980 | 152671 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 6 | 0 | 5 | 3.2 | CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3917716 | 152671 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 6 | 0 | 5 | 3.2 | CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 78815633 | 154294 | 2 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3930616 | 154294 | 2 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 10621309 | 209554 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL62110 | 209554 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 9851486 | 213478 | 0 | None | 223 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL89685 | 213478 | 0 | None | 223 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 9851486 | 213478 | 0 | None | 223 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL89685 | 213478 | 0 | None | 223 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 10409038 | 92017 | 0 | None | 41 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 405 | 2 | 2 | 5 | 3.6 | COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| CHEMBL225853 | 92017 | 0 | None | 41 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 405 | 2 | 2 | 5 | 3.6 | COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| 10620533 | 208643 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL60722 | 208643 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10770057 | 108849 | 0 | None | 42 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL302092 | 108849 | 0 | None | 42 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 19085869 | 174904 | 0 | None | 30 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL432947 | 174904 | 0 | None | 30 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
| 10578548 | 43786 | 0 | None | 398 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145178 | 43786 | 0 | None | 398 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10643502 | 107726 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL294098 | 107726 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 11505007 | 175702 | 0 | None | -3 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL438673 | 175702 | 0 | None | -3 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 44431616 | 94851 | 0 | None | 3 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234649 | 94851 | 0 | None | 3 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10342554 | 111559 | 0 | None | 33 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL310890 | 111559 | 0 | None | 33 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 57400556 | 76085 | 0 | None | -1 | 5 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 495 | 13 | 1 | 8 | 3.1 | CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928134 | 76085 | 0 | None | -1 | 5 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 495 | 13 | 1 | 8 | 3.1 | CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| 57400557 | 76087 | 0 | None | -1 | 5 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 509 | 14 | 1 | 8 | 3.2 | CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928136 | 76087 | 0 | None | -1 | 5 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 509 | 14 | 1 | 8 | 3.2 | CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| 10650633 | 44311 | 0 | None | 64 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | ||
| CHEMBL145610 | 44311 | 0 | None | 64 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | ||
| 10603727 | 44464 | 0 | None | 114 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL145752 | 44464 | 0 | None | 114 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 11994665 | 18606 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182151 | 18606 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215151 | 18606 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 10770317 | 210670 | 0 | None | 123 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 632 | 12 | 2 | 10 | 3.2 | COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC | 10.1021/jm9905918 | ||
| CHEMBL68913 | 210670 | 0 | None | 123 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 632 | 12 | 2 | 10 | 3.2 | COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC | 10.1021/jm9905918 | ||
| 44268966 | 40211 | 0 | None | 5 | 6 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL14199 | 40211 | 0 | None | 5 | 6 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 44275255 | 105380 | 0 | None | 223 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | ||
| CHEMBL276932 | 105380 | 0 | None | 223 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | ||
| 11554541 | 78583 | 0 | None | -25 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | ||
| CHEMBL196817 | 78583 | 0 | None | -25 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | ||
| 11751173 | 70200 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL179743 | 70200 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 497 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | ||
| 9872515 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL24777 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | ||
| 9804599 | 108477 | 0 | None | 25 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL299452 | 108477 | 0 | None | 25 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 10506361 | 164484 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL40819 | 164484 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 499 | 10849 | 18 | None | -1 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | ||
| 10696645 | 150900 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL39037 | 150900 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 44431554 | 173457 | 0 | None | 20 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL428197 | 173457 | 0 | None | 20 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857710 | 149141 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL388897 | 149141 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| 497 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/j.bmcl.2004.11.032 | ||
| 9872515 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL24777 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/j.bmcl.2004.11.032 | ||
| 56961506 | 128217 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 544 | 5 | 2 | 13 | 1.6 | COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| CHEMBL3582269 | 128217 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 544 | 5 | 2 | 13 | 1.6 | COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| 10973768 | 114337 | 0 | None | -3 | 10 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| CHEMBL318901 | 114337 | 0 | None | -3 | 10 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | ||
| 49781894 | 24678 | 0 | None | -3 | 4 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259158 | 24678 | 0 | None | -3 | 4 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | ||
| 10099811 | 127801 | 4 | None | 676 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL356584 | 127801 | 4 | None | 676 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10841851 | 41089 | 0 | None | 562 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| CHEMBL142718 | 41089 | 0 | None | 562 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| 9982585 | 108293 | 0 | None | 281 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL298058 | 108293 | 0 | None | 281 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 16721110 | 90464 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL220515 | 90464 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 11384634 | 101473 | 0 | None | -134 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.8 | CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252818 | 101473 | 0 | None | -134 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.8 | CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 10480509 | 149109 | 0 | None | 89 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 483 | 2 | 2 | 5 | 4.4 | COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| CHEMBL388564 | 149109 | 0 | None | 89 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 483 | 2 | 2 | 5 | 4.4 | COc1cc2c(c(Br)c1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| 136806217 | 214478 | 0 | None | 12 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328806 | 214478 | 0 | None | 12 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95548 | 214478 | 0 | None | 12 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 10627021 | 113872 | 0 | None | 194 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
| CHEMBL315914 | 113872 | 0 | None | 194 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | ||
| 10627021 | 92062 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260365 | 92062 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1007/s00044-004-0120-9 | ||
| 10606657 | 208267 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL60510 | 208267 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 52942047 | 23437 | 0 | None | 5 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242444 | 23437 | 0 | None | 5 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 44447039 | 161165 | 0 | None | -2 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 4.7 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL398744 | 161165 | 0 | None | -2 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 4.7 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1 | 10.1016/j.bmcl.2007.11.106 | ||
| 71454559 | 86419 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | ||
| CHEMBL2115086 | 86419 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | ||
| 10692195 | 107382 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL291839 | 107382 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 20215436 | 35288 | 3 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 355 | 4 | 1 | 8 | 2.1 | COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL137598 | 35288 | 3 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 355 | 4 | 1 | 8 | 2.1 | COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 11857639 | 92523 | 1 | None | 56 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL229084 | 92523 | 1 | None | 56 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| 6603950 | 210103 | 9 | None | -3 | 8 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
| CHEMBL64875 | 210103 | 9 | None | -3 | 8 | Bovine | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | ||
| 56837636 | 76072 | 0 | None | 7 | 5 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 897 | 28 | 2 | 13 | 5.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928121 | 76072 | 0 | None | 7 | 5 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 897 | 28 | 2 | 13 | 5.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 10095044 | 109081 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | ||
| CHEMBL303464 | 109081 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | ||
| 11189150 | 138711 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 413 | 7 | 1 | 6 | 3.2 | O=C(NCCCCN1CCN(c2csc3cc(F)ccc23)CC1)c1cnccn1 | 10.1021/jm0491804 | ||
| CHEMBL369520 | 138711 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 413 | 7 | 1 | 6 | 3.2 | O=C(NCCCCN1CCN(c2csc3cc(F)ccc23)CC1)c1cnccn1 | 10.1021/jm0491804 | ||
| 10691912 | 174799 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL432147 | 174799 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 46224879 | 208326 | 3 | None | -6 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 302 | 2 | 0 | 2 | 4.6 | Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
| CHEMBL605405 | 208326 | 3 | None | -6 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 302 | 2 | 0 | 2 | 4.6 | Cc1ccc2c(c1)c1c(n2/C=C\c2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
| 11712250 | 79775 | 0 | None | -5 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | ||
| CHEMBL200839 | 79775 | 0 | None | -5 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | ||
| 11454386 | 69881 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178923 | 69881 | 0 | None | -1 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 11270912 | 206371 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL59262 | 206371 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11270912 | 206371 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL59262 | 206371 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 10578990 | 210620 | 0 | None | 48 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | ||
| CHEMBL68565 | 210620 | 0 | None | 48 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | ||
| 10508332 | 112768 | 0 | None | 109 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
| CHEMBL313160 | 112768 | 0 | None | 109 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | ||
| 10508332 | 92065 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260368 | 92065 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1007/s00044-004-0120-9 | ||
| 44420428 | 90269 | 0 | None | -3 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL220221 | 90269 | 0 | None | -3 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 90645593 | 119262 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298746 | 119262 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 44420428 | 90269 | 0 | None | -3 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL220221 | 90269 | 0 | None | -3 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 10678161 | 107592 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
| CHEMBL293236 | 107592 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | ||
| 10256583 | 35605 | 0 | None | 1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 497 | 7 | 1 | 7 | 4.1 | COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL137903 | 35605 | 0 | None | 1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 497 | 7 | 1 | 7 | 4.1 | COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 44431599 | 94839 | 0 | None | 10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234609 | 94839 | 0 | None | 10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
| 9915831 | 108881 | 0 | None | 50 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL302246 | 108881 | 0 | None | 50 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 9850782 | 110376 | 0 | None | 72 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL308671 | 110376 | 0 | None | 72 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 9931977 | 69814 | 0 | None | -1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
| CHEMBL1788223 | 69814 | 0 | None | -1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
| 49781451 | 24630 | 0 | None | -2 | 4 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | ||
| CHEMBL1259024 | 24630 | 0 | None | -2 | 4 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | ||
| 49781679 | 24651 | 0 | None | -1 | 4 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | ||
| CHEMBL1259080 | 24651 | 0 | None | -1 | 4 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | ||
| 10531022 | 127847 | 0 | None | 44 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | ||
| CHEMBL356978 | 127847 | 0 | None | 44 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | ||
| 11123606 | 212214 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL80260 | 212214 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 16121006 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL1182182 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL217469 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| 11539392 | 148020 | 0 | None | -12 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | ||
| CHEMBL382972 | 148020 | 0 | None | -12 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | ||
| 16121006 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182182 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL217469 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 16121006 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL1182182 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL217469 | 18613 | 0 | None | -75 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 10716502 | 213354 | 0 | None | 39 | 2 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 410 | 7 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88820 | 213354 | 0 | None | 39 | 2 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 410 | 7 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10789868 | 213509 | 0 | None | 158 | 2 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 4.0 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL89916 | 213509 | 0 | None | 158 | 2 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 4.0 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 | 10.1021/jm970166j | ||
| 10552164 | 213679 | 0 | None | -1 | 3 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL90869 | 213679 | 0 | None | -1 | 3 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10646065 | 213681 | 0 | None | -1 | 3 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL90874 | 213681 | 0 | None | -1 | 3 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 44324012 | 214028 | 0 | None | 6 | 3 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
| CHEMBL92901 | 214028 | 0 | None | 6 | 3 | Bovine | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
| 44298671 | 169955 | 0 | None | 19 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL418112 | 169955 | 0 | None | 19 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 44298734 | 203487 | 0 | None | 31 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL56489 | 203487 | 0 | None | 31 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | ||
| 10256583 | 35605 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 497 | 7 | 1 | 7 | 4.1 | COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL137903 | 35605 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 497 | 7 | 1 | 7 | 4.1 | COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 10627094 | 127869 | 0 | None | 269 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL357131 | 127869 | 0 | None | 269 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 44431587 | 94609 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233849 | 94609 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431560 | 152356 | 0 | None | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL391530 | 152356 | 0 | None | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| 44431602 | 154372 | 0 | None | 5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL393104 | 154372 | 0 | None | 5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44299975 | 108665 | 0 | None | 4 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL300766 | 108665 | 0 | None | 4 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 155552185 | 180840 | 0 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4544086 | 180840 | 0 | None | -2 | 16 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 9959689 | 108590 | 0 | None | 281 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL300222 | 108590 | 0 | None | 281 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 11046644 | 37477 | 0 | None | -4 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | ||
| CHEMBL139505 | 37477 | 0 | None | -4 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | ||
| 10813408 | 165132 | 0 | None | 2 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL40896 | 165132 | 0 | None | 2 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 90645599 | 119209 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298017 | 119209 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 10767959 | 167725 | 0 | None | -2 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL41155 | 167725 | 0 | None | -2 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 132266 | 8061 | 12 | None | -18 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 486 | 8061 | 12 | None | -18 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| CHEMBL423294 | 8061 | 12 | None | -18 | 9 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 90645601 | 119211 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298019 | 119211 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 136680383 | 174781 | 0 | None | 21 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328800 | 174781 | 0 | None | 21 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL432026 | 174781 | 0 | None | 21 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 16041629 | 102221 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL257097 | 102221 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 155515982 | 176789 | 0 | None | -6 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4442460 | 176789 | 0 | None | -6 | 17 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 10580182 | 44247 | 0 | None | 1862 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL145553 | 44247 | 0 | None | 1862 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 9984150 | 108546 | 0 | None | 891 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL299914 | 108546 | 0 | None | 891 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 10599007 | 211294 | 0 | None | -5 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| CHEMBL72657 | 211294 | 0 | None | -5 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| 10793665 | 113729 | 0 | None | 69 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
| CHEMBL314960 | 113729 | 0 | None | 69 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | ||
| 10793665 | 92056 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260359 | 92056 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1007/s00044-004-0120-9 | ||
| 15054187 | 198445 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 389 | 4 | 2 | 5 | 2.0 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm00110a014 | ||
| CHEMBL51963 | 198445 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 389 | 4 | 2 | 5 | 2.0 | O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm00110a014 | ||
| 11857709 | 92403 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL228334 | 92403 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857638 | 150588 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL390129 | 150588 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857711 | 92396 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228280 | 92396 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| 11857709 | 92403 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228334 | 92403 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 9808529 | 210651 | 0 | None | 20 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 587 | 10 | 2 | 9 | 3.1 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL68746 | 210651 | 0 | None | 20 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 587 | 10 | 2 | 9 | 3.1 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 18738384 | 171156 | 0 | None | 25 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL421297 | 171156 | 0 | None | 25 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 44431180 | 99624 | 0 | None | -9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243864 | 99624 | 0 | None | -9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 10793023 | 128300 | 0 | None | 60 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | ||
| CHEMBL358489 | 128300 | 0 | None | 60 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | ||
| 10394346 | 23735 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| CHEMBL125365 | 23735 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | ||
| 11270912 | 206371 | 0 | None | -2 | 5 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL59262 | 206371 | 0 | None | -2 | 5 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 10674896 | 213423 | 0 | None | 83 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
| CHEMBL89243 | 213423 | 0 | None | 83 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | ||
| 10674896 | 92047 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260149 | 92047 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1007/s00044-004-0120-9 | ||
| 53327748 | 70162 | 0 | None | 2 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796033 | 70162 | 0 | None | 2 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 10651654 | 118260 | 0 | None | 61 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
| CHEMBL327712 | 118260 | 0 | None | 61 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | ||
| 10651654 | 92064 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260367 | 92064 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1007/s00044-004-0120-9 | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 44390749 | 70684 | 0 | None | 173 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | ||
| CHEMBL180561 | 70684 | 0 | None | 173 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | ||
| 145962342 | 168202 | 0 | None | -29 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4126860 | 168202 | 0 | None | -29 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
| 10767981 | 203041 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| CHEMBL561851 | 203041 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| 44390749 | 70684 | 0 | None | 173 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL180561 | 70684 | 0 | None | 173 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 44447059 | 101324 | 0 | None | -23 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 6 | 1 | 7 | 4.1 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL251834 | 101324 | 0 | None | -23 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 6 | 1 | 7 | 4.1 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccno1 | 10.1016/j.bmcl.2007.11.106 | ||
| 10742417 | 209552 | 0 | None | 1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | ||
| CHEMBL62109 | 209552 | 0 | None | 1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | ||
| 10793503 | 126493 | 0 | None | 616 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 11 | 2 | 8 | 4.5 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL347499 | 126493 | 0 | None | 616 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 11 | 2 | 8 | 4.5 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 44390749 | 70684 | 0 | None | 173 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL180561 | 70684 | 0 | None | 173 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/j.bmcl.2004.11.032 | ||
| 57391895 | 76076 | 0 | None | 14 | 5 | Pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 925 | 30 | 2 | 13 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928125 | 76076 | 0 | None | 14 | 5 | Pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 925 | 30 | 2 | 13 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 9916549 | 128342 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL358595 | 128342 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 9916549 | 128342 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| CHEMBL358595 | 128342 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | ||
| 10531675 | 43555 | 0 | None | 19 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL144989 | 43555 | 0 | None | 19 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 10793503 | 126493 | 0 | None | 616 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 11 | 2 | 8 | 4.5 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL347499 | 126493 | 0 | None | 616 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 588 | 11 | 2 | 8 | 4.5 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| 44446999 | 101472 | 0 | None | 2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 474 | 5 | 1 | 5 | 4.3 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252816 | 101472 | 0 | None | 2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 474 | 5 | 1 | 5 | 4.3 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F | 10.1016/j.bmcl.2007.11.106 | ||
| 10048729 | 195922 | 0 | None | 3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
| CHEMBL51074 | 195922 | 0 | None | 3 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
| 9847845 | 35226 | 0 | None | -7 | 6 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13754 | 35226 | 0 | None | -7 | 6 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 11604548 | 79663 | 0 | None | -31 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL200366 | 79663 | 0 | None | -31 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1007/s00044-010-9379-1 | ||
| 11532563 | 173158 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL427552 | 173158 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1007/s00044-010-9379-1 | ||
| 11604548 | 79663 | 0 | None | -31 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL200366 | 79663 | 0 | None | -31 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1007/s00044-010-9379-1 | ||
| 11532563 | 173158 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL427552 | 173158 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1007/s00044-010-9379-1 | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| 11705133 | 79105 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | ||
| CHEMBL198431 | 79105 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | ||
| 11604548 | 79663 | 0 | None | -31 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | ||
| CHEMBL200366 | 79663 | 0 | None | -31 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | ||
| 11669646 | 79723 | 0 | None | -19 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | ||
| CHEMBL200580 | 79723 | 0 | None | -19 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | ||
| 11532563 | 173158 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | ||
| CHEMBL427552 | 173158 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | ||
| 52941004 | 23863 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254914 | 23863 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 71817547 | 109355 | 0 | None | -7 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL2419771 | 109355 | 0 | None | -7 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL3040800 | 109355 | 0 | None | -7 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| 134139869 | 152978 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 8 | 0 | 5 | 3.9 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3920110 | 152978 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 8 | 0 | 5 | 3.9 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC | 10.1016/j.ejmech.2016.06.052 | ||
| 10642742 | 213574 | 0 | None | 3 | 3 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90287 | 213574 | 0 | None | 3 | 3 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 44298694 | 107468 | 0 | None | 9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL292403 | 107468 | 0 | None | 9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL5272464 | 201404 | 0 | None | -11 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 480 | 10 | 1 | 5 | 4.4 | CCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315453 | 201404 | 0 | None | -11 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 480 | 10 | 1 | 5 | 4.4 | CCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 10415038 | 11211 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL101610 | 11211 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| 10415038 | 11211 | 0 | None | -3 | 4 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL101610 | 11211 | 0 | None | -3 | 4 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1039/C2MD00311B | ||
| 52937631 | 68081 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767141 | 68081 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| 44431587 | 173931 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL429076 | 173931 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857792 | 150681 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL390192 | 150681 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| 1524 | 8962 | 96 | None | -7 | 51 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1021/acs.jmedchem.2c00633 | ||
| 197 | 8962 | 96 | None | -7 | 51 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1021/acs.jmedchem.2c00633 | ||
| 3822 | 8962 | 96 | None | -7 | 51 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1021/acs.jmedchem.2c00633 | ||
| 88 | 8962 | 96 | None | -7 | 51 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL51 | 8962 | 96 | None | -7 | 51 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1021/acs.jmedchem.2c00633 | ||
| DB12465 | 8962 | 96 | None | -7 | 51 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 10.1021/acs.jmedchem.2c00633 | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | ||
| 46934793 | 23401 | 0 | None | -7 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1241557 | 23401 | 0 | None | -7 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 52941056 | 23895 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1255086 | 23895 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | ||
| 11668565 | 22844 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 4.9 | Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223799 | 22844 | 0 | None | -3 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 4.9 | Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 71508685 | 93827 | 0 | None | 2 | 2 | Bovine | 8.0 | pKi | = | 8 | Binding | ChEMBL | 385 | 3 | 0 | 3 | 5.6 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccncc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325930 | 93827 | 0 | None | 2 | 2 | Bovine | 8.0 | pKi | = | 8 | Binding | ChEMBL | 385 | 3 | 0 | 3 | 5.6 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ccncc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 10555223 | 43899 | 0 | None | 158 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
| CHEMBL145267 | 43899 | 0 | None | 158 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
| 53328685 | 70173 | 0 | None | 5 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796044 | 70173 | 0 | None | 5 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 118716707 | 121779 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342860 | 121779 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44447013 | 176182 | 0 | None | -4 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 500 | 6 | 1 | 5 | 5.2 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL442290 | 176182 | 0 | None | -4 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 500 | 6 | 1 | 5 | 5.2 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 127028034 | 144428 | 0 | None | 3 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 404 | 9 | 0 | 4 | 5.2 | COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758368 | 144428 | 0 | None | 3 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 404 | 9 | 0 | 4 | 5.2 | COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 44447028 | 101382 | 0 | None | -10 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 510 | 8 | 1 | 5 | 5.4 | O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252201 | 101382 | 0 | None | -10 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 510 | 8 | 1 | 5 | 5.4 | O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 8459 | 10071 | 4 | None | -10 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | ||
| 9891980 | 10071 | 4 | None | -10 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | ||
| CHEMBL430717 | 10071 | 4 | None | -10 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | ||
| 44428849 | 150407 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL389978 | 150407 | 0 | None | -6 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 118716706 | 121777 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342859 | 121777 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 11474937 | 203953 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | ||
| CHEMBL56804 | 203953 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | ||
| 44447008 | 101542 | 0 | None | -2 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 482 | 6 | 1 | 5 | 5.1 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL253233 | 101542 | 0 | None | -2 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 482 | 6 | 1 | 5 | 5.1 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccccc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 9867616 | 175105 | 0 | None | -2 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 435 | 6 | 1 | 8 | 2.2 | COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL434228 | 175105 | 0 | None | -2 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 435 | 6 | 1 | 8 | 2.2 | COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 44318081 | 170092 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| CHEMBL418926 | 170092 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| 9822477 | 206231 | 0 | None | -34 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL59149 | 206231 | 0 | None | -34 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| 242 | 7258 | 124 | None | -14 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| 34 | 7258 | 124 | None | -14 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| 60795 | 7258 | 124 | None | -14 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| CHEMBL1112 | 7258 | 124 | None | -14 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| DB01238 | 7258 | 124 | None | -14 | 51 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1039/C2MD00311B | ||
| 2337 | 10030 | 77 | None | -5 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 50 | 10030 | 77 | None | -5 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 5002 | 10030 | 77 | None | -5 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL716 | 10030 | 77 | None | -5 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB01224 | 10030 | 77 | None | -5 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 52937119 | 68094 | 0 | None | -15 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.6 | CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | ||
| CHEMBL1767155 | 68094 | 0 | None | -15 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.6 | CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | ||
| 24803641 | 68098 | 0 | None | -199 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 612 | 10 | 0 | 6 | 7.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| CHEMBL1767159 | 68098 | 0 | None | -199 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 612 | 10 | 0 | 6 | 7.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| 24803639 | 68105 | 0 | None | -251 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 622 | 14 | 1 | 7 | 6.8 | O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767166 | 68105 | 0 | None | -251 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 622 | 14 | 1 | 7 | 6.8 | O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 44431557 | 153450 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL392377 | 153450 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10362296 | 101863 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 378 | 8 | 1 | 3 | 3.6 | CC(=O)CC(=O)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1 | 10.1021/jm960697s | ||
| CHEMBL25537 | 101863 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 378 | 8 | 1 | 3 | 3.6 | CC(=O)CC(=O)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1 | 10.1021/jm960697s | ||
| 44417715 | 18610 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1182160 | 18610 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL215857 | 18610 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 11135150 | 14375 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1087942 | 14375 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL287686 | 14375 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 9822477 | 206231 | 0 | None | -34 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL59149 | 206231 | 0 | None | -34 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| 9908478 | 202415 | 1 | None | -7079 | 7 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | ||
| CHEMBL556313 | 202415 | 1 | None | -7079 | 7 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | ||
| 135398745 | 9688 | 112 | None | -39 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 9688 | 112 | None | -39 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 9688 | 112 | None | -39 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 9688 | 112 | None | -39 | 65 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 9923249 | 12369 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 323 | 4 | 2 | 4 | 2.8 | CCS(=O)(=O)Nc1cccc2c1SCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL107726 | 12369 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 323 | 4 | 2 | 4 | 2.8 | CCS(=O)(=O)Nc1cccc2c1SCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 16041451 | 104584 | 0 | None | -5 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL271913 | 104584 | 0 | None | -5 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 16756753 | 98903 | 1 | None | -37 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 7.0 | Cc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C | 10.1021/jm060383x | ||
| CHEMBL242003 | 98903 | 1 | None | -37 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 7.0 | Cc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C | 10.1021/jm060383x | ||
| 44417709 | 19192 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL1185857 | 19192 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL436955 | 19192 | 0 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| 127025275 | 144460 | 0 | None | -263 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 474 | 9 | 2 | 5 | 4.7 | CCOC(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758665 | 144460 | 0 | None | -263 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 474 | 9 | 2 | 5 | 4.7 | CCOC(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 19085921 | 111686 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL311290 | 111686 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 10939408 | 54197 | 0 | None | -35 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 7 | 1 | 3 | 5.5 | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL154508 | 54197 | 0 | None | -35 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 7 | 1 | 3 | 5.5 | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 25022505 | 195070 | 0 | None | 2 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL500266 | 195070 | 0 | None | 2 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 3191 | 109635 | 97 | None | -204 | 25 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 109635 | 97 | None | -204 | 25 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| DB11742 | 109635 | 97 | None | -204 | 25 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 102 | 10899 | 48 | None | -346 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| 3659 | 10899 | 48 | None | -346 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| 8969 | 10899 | 48 | None | -346 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| CHEMBL15245 | 10899 | 48 | None | -346 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| DB01392 | 10899 | 48 | None | -346 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| 127046693 | 146445 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | ||
| CHEMBL3797887 | 146445 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | ||
| CHEMBL4762646 | 146445 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | ||
| 2812 | 11551 | 101 | None | -2238 | 34 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 11551 | 101 | None | -2238 | 34 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 9844321 | 107638 | 0 | None | -588 | 5 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL293539 | 107638 | 0 | None | -588 | 5 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 10669270 | 173068 | 0 | None | -28 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 5 | 0 | 4 | 2.6 | O=C1C2CCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| CHEMBL42706 | 173068 | 0 | None | -28 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 5 | 0 | 4 | 2.6 | O=C1C2CCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| 14004040 | 58409 | 0 | None | -6 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| CHEMBL158371 | 58409 | 0 | None | -6 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| 145951352 | 169539 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4171710 | 169539 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 56945164 | 78289 | 0 | None | -338 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | ||
| CHEMBL1946786 | 78289 | 0 | None | -338 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | ||
| CHEMBL1962756 | 78289 | 0 | None | -338 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | ||
| 14004039 | 126339 | 3 | None | -5 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
| CHEMBL346016 | 126339 | 3 | None | -5 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
| 10744391 | 214142 | 0 | None | 7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL93693 | 214142 | 0 | None | 7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | ||
| 1353 | 8692 | 93 | None | -6 | 85 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 8692 | 93 | None | -6 | 85 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 8692 | 93 | None | -6 | 85 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 8692 | 93 | None | -6 | 85 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 8692 | 93 | None | -6 | 85 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 10092649 | 199852 | 56 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| CHEMBL522460 | 199852 | 56 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| 11519153 | 92394 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL228278 | 92394 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857861 | 201559 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL538397 | 201559 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 44431611 | 94260 | 0 | None | -7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233410 | 94260 | 0 | None | -7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 17753379 | 94578 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233816 | 94578 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431599 | 94795 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234423 | 94795 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | ||
| 44431574 | 153048 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL392066 | 153048 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11519153 | 92394 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228278 | 92394 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 16041091 | 101996 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256041 | 101996 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 16041263 | 102222 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL257098 | 102222 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 145946966 | 174376 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.9 | COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4209888 | 174376 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.9 | COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4300899 | 174376 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.9 | COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| 6603808 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214986 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL36622 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3740374 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 6603808 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL214986 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL36622 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL3740374 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 6603808 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| CHEMBL214986 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| CHEMBL36622 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| CHEMBL3740374 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | ||
| 6603808 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| CHEMBL214986 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| CHEMBL36622 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| CHEMBL3740374 | 134300 | 3 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | ||
| 46934637 | 23443 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242542 | 23443 | 0 | None | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 11994551 | 18612 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL1182179 | 18612 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL217143 | 18612 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| 50905589 | 63128 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630942 | 63128 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 44328920 | 115418 | 0 | None | 15 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL320736 | 115418 | 0 | None | 15 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 118716710 | 121782 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342863 | 121782 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 14004040 | 58409 | 0 | None | -6 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| CHEMBL158371 | 58409 | 0 | None | -6 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 227 | 0 | 0 | 2 | 3.5 | c1ccc2c3c(oc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| 10254390 | 78463 | 0 | None | -851 | 7 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 8 | 1 | 5 | 5.1 | COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12 | 10.1021/jm050171k | ||
| CHEMBL196476 | 78463 | 0 | None | -851 | 7 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 8 | 1 | 5 | 5.1 | COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12 | 10.1021/jm050171k | ||
| 16041090 | 102168 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256853 | 102168 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
| 13938361 | 192142 | 0 | None | -141 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
| CHEMBL48603 | 192142 | 0 | None | -141 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
| 14004039 | 126339 | 3 | None | -5 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
| CHEMBL346016 | 126339 | 3 | None | -5 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 193 | 0 | 0 | 2 | 2.8 | c1cc2c(s1)C1CCCCN1CC2 | 10.1021/jm00398a025 | ||
| 10242469 | 38215 | 0 | None | - | 1 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 217 | 1 | 1 | 4 | 0.9 | CN1CC(C2=NCCN2)Oc2ccccc21 | 10.1021/jm021050c | ||
| CHEMBL14028 | 38215 | 0 | None | - | 1 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 217 | 1 | 1 | 4 | 0.9 | CN1CC(C2=NCCN2)Oc2ccccc21 | 10.1021/jm021050c | ||
| 9887884 | 126063 | 51 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 412 | 4 | 0 | 3 | 5.1 | O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21 | 10.1016/j.bmcl.2019.126681 | ||
| CHEMBL343822 | 126063 | 51 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 412 | 4 | 0 | 3 | 5.1 | O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21 | 10.1016/j.bmcl.2019.126681 | ||
| 10577609 | 33759 | 0 | None | -75 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 509 | 8 | 1 | 9 | 3.5 | COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL136458 | 33759 | 0 | None | -75 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 509 | 8 | 1 | 9 | 3.5 | COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 1935 | 10506 | 97 | None | -190 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 2551 | 10506 | 97 | None | -190 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 6687 | 10506 | 97 | None | -190 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| CHEMBL95 | 10506 | 97 | None | -190 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| DB00382 | 10506 | 97 | None | -190 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 118717460 | 121920 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343982 | 121920 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 118717460 | 121920 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343982 | 121920 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 481 | 9667 | 7 | None | 4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 9838763 | 9667 | 7 | None | 4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| CHEMBL72958 | 9667 | 7 | None | 4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 10.1021/jm000542r | ||
| 131829 | 211506 | 15 | None | -173 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL74283 | 211506 | 15 | None | -173 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | ||
| 34458 | 105119 | 68 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.1 | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL275097 | 105119 | 68 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.1 | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 9892644 | 204125 | 0 | None | -30 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | ||
| CHEMBL56899 | 204125 | 0 | None | -30 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | ||
| 9906978 | 49485 | 2 | None | -2 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| CHEMBL150161 | 49485 | 2 | None | -2 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| 10775000 | 114171 | 2 | None | -30 | 5 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL317912 | 114171 | 2 | None | -30 | 5 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 11301627 | 16170 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111537 | 16170 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 11301627 | 16170 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111537 | 16170 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 9922027 | 122188 | 0 | None | 1 | 3 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL3350265 | 122188 | 0 | None | 1 | 3 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 10835395 | 213588 | 0 | None | -7 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 6 | 0 | 4 | 3.7 | FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| CHEMBL90384 | 213588 | 0 | None | -7 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 6 | 0 | 4 | 3.7 | FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| 3151 | 8244 | 97 | None | -147 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 8244 | 97 | None | -147 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 8244 | 97 | None | -147 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 8244 | 97 | None | -147 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 8244 | 97 | None | -147 | 26 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 127027974 | 144539 | 0 | None | -9 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 8 | 1 | 4 | 3.4 | COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3759312 | 144539 | 0 | None | -9 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 8 | 1 | 4 | 3.4 | COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 46881493 | 13760 | 0 | None | -14 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1084658 | 13760 | 0 | None | -14 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 9845172 | 175888 | 0 | None | -79 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL440118 | 175888 | 0 | None | -79 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 11584530 | 22871 | 0 | None | -158 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 5.8 | FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223857 | 22871 | 0 | None | -158 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 5.8 | FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 9929936 | 174691 | 0 | None | -11 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
| CHEMBL431354 | 174691 | 0 | None | -11 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
| 9822812 | 202651 | 0 | None | -45 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL55882 | 202651 | 0 | None | -45 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 11857862 | 148832 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL387833 | 148832 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 44431607 | 94259 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233407 | 94259 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857794 | 92443 | 0 | None | 5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228553 | 92443 | 0 | None | 5 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
| 11857862 | 148832 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL387833 | 148832 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 4038180 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
| 480 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
| CHEMBL109783 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | ||
| 44308466 | 210568 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL68241 | 210568 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | ||
| 68604 | 84980 | 29 | None | -28 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 401 | 5 | 0 | 6 | 2.9 | Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL2105437 | 84980 | 29 | None | -28 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 401 | 5 | 0 | 6 | 2.9 | Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2 | 10.1021/acs.jmedchem.2c00633 | ||
| 11590801 | 22822 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223747 | 22822 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2018.04.059 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2018.04.059 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2018.04.059 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2018.04.059 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2018.04.059 | ||
| 10745664 | 128794 | 0 | None | 12 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL359433 | 128794 | 0 | None | 12 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 44289344 | 175325 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL435576 | 175325 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 3039881 | 181036 | 10 | None | -19 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 1 | 0 | 1 | 5.0 | CN(C)C1C=CC2(CC1)c1ccccc1CCc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| CHEMBL45491 | 181036 | 10 | None | -19 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 1 | 0 | 1 | 5.0 | CN(C)C1C=CC2(CC1)c1ccccc1CCc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| 1443 | 8809 | 34 | None | -2 | 11 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 33625 | 8809 | 34 | None | -2 | 11 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 501 | 8809 | 34 | None | -2 | 11 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| CHEMBL279516 | 8809 | 34 | None | -2 | 11 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| DB08950 | 8809 | 34 | None | -2 | 11 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 4038180 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 480 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL109783 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 118716721 | 121793 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342874 | 121793 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 4038180 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
| 480 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
| CHEMBL109783 | 6992 | 14 | None | 2 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
| 10644955 | 172966 | 7 | None | -1 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 404 | 6 | 0 | 4 | 3.1 | O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm970216k | ||
| CHEMBL42644 | 172966 | 7 | None | -1 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 404 | 6 | 0 | 4 | 3.1 | O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm970216k | ||
| 9824384 | 125565 | 1 | None | -14 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| CHEMBL342062 | 125565 | 1 | None | -14 | 8 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| 10252540 | 92132 | 1 | None | -58 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261604 | 92132 | 1 | None | -58 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 132266 | 8061 | 12 | None | -28 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| 486 | 8061 | 12 | None | -28 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL423294 | 8061 | 12 | None | -28 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| 132266 | 8061 | 12 | None | -28 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| 486 | 8061 | 12 | None | -28 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL423294 | 8061 | 12 | None | -28 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| 52948119 | 23438 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242445 | 23438 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 118716723 | 121795 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342876 | 121795 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44288162 | 175778 | 0 | None | -2 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
| CHEMBL43921 | 175778 | 0 | None | -2 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
| 10622830 | 109203 | 0 | None | 5 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | ||
| CHEMBL303988 | 109203 | 0 | None | 5 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | ||
| 118717456 | 121914 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343977 | 121914 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 9797396 | 19653 | 0 | None | -39 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188811 | 19653 | 0 | None | -39 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL537428 | 19653 | 0 | None | -39 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 9797396 | 19653 | 0 | None | -39 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL1188811 | 19653 | 0 | None | -39 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL537428 | 19653 | 0 | None | -39 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| 44586430 | 193809 | 0 | None | 3 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL490865 | 193809 | 0 | None | 3 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 155525650 | 183417 | 0 | None | -22 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4457585 | 183417 | 0 | None | -22 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4597956 | 183417 | 0 | None | -22 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 118717456 | 121914 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343977 | 121914 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 145949210 | 169528 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4171491 | 169528 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 145946292 | 174283 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4210954 | 174283 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4299802 | 174283 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
| 12909389 | 67143 | 0 | None | 64 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.7 | CN1CCC(=C2c3cc(C(=O)O)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL174649 | 67143 | 0 | None | 64 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.7 | CN1CCC(=C2c3cc(C(=O)O)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 10221004 | 211010 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70973 | 211010 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9953974 | 84608 | 0 | None | 5 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
| CHEMBL2092927 | 84608 | 0 | None | 5 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 0 | 7 | 3.3 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1 | 10.1021/jm970159v | ||
| 10694274 | 205801 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
| CHEMBL58585 | 205801 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
| 1971 | 9641 | 38 | None | -24 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 2404 | 9641 | 38 | None | -24 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4543 | 9641 | 38 | None | -24 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL445 | 9641 | 38 | None | -24 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| DB00540 | 9641 | 38 | None | -24 | 30 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 9950711 | 115983 | 0 | None | 5 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL321644 | 115983 | 0 | None | 5 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 16655023 | 114218 | 2 | None | -102 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| CHEMBL318235 | 114218 | 2 | None | -102 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.7 | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 | 10.1016/j.bmc.2007.03.053 | ||
| 9822477 | 206231 | 0 | None | -43 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
| CHEMBL59149 | 206231 | 0 | None | -43 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | ||
| 11183468 | 116649 | 2 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL323402 | 116649 | 2 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 52937526 | 68076 | 0 | None | -1258 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 363 | 5 | 0 | 5 | 3.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767137 | 68076 | 0 | None | -1258 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 363 | 5 | 0 | 5 | 3.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| 24803798 | 68099 | 0 | None | -501 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 640 | 12 | 0 | 6 | 7.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| CHEMBL1767160 | 68099 | 0 | None | -501 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 640 | 12 | 0 | 6 | 7.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| 218362 | 211579 | 5 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL75030 | 211579 | 5 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 151779 | 201483 | 2 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL533979 | 201483 | 2 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 127040061 | 143704 | 0 | None | -33 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| CHEMBL3739932 | 143704 | 0 | None | -33 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| CHEMBL3742489 | 143704 | 0 | None | -33 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| 127036186 | 144192 | 0 | None | -39 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3753318 | 144192 | 0 | None | -39 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 254 | 7 | 1 | 1 | 3.7 | C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 127026052 | 144331 | 0 | None | -75 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3754496 | 144331 | 0 | None | -75 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 7 | 1 | 1 | 3.5 | C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 183528 | 175480 | 6 | None | -16 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 420 | 3 | 4 | 3 | 4.7 | O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL436760 | 175480 | 6 | None | -16 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 420 | 3 | 4 | 3 | 4.7 | O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| 151779 | 201483 | 2 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL533979 | 201483 | 2 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 44328739 | 214430 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95263 | 214430 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 1376848 | 210535 | 8 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL67932 | 210535 | 8 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 9954092 | 203425 | 0 | None | -1000 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL56438 | 203425 | 0 | None | -1000 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 9903797 | 16211 | 5 | None | 18 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
| CHEMBL111734 | 16211 | 5 | None | 18 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | ||
| 25181489 | 194136 | 0 | None | -158 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
| CHEMBL493285 | 194136 | 0 | None | -158 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
| 9903797 | 16211 | 5 | None | 18 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | ||
| CHEMBL111734 | 16211 | 5 | None | 18 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | ||
| 11747739 | 20007 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1191324 | 20007 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL542402 | 20007 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44267890 | 23279 | 0 | None | 41 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12364 | 23279 | 0 | None | 41 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 44460394 | 212157 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL79940 | 212157 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 9959671 | 39445 | 0 | None | 363 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL141322 | 39445 | 0 | None | 363 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 15054189 | 202363 | 0 | None | 23 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm00110a014 | ||
| CHEMBL55528 | 202363 | 0 | None | 23 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm00110a014 | ||
| 2389 | 10104 | 118 | None | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
| 5073 | 10104 | 118 | None | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
| 96 | 10104 | 118 | None | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
| CHEMBL85 | 10104 | 118 | None | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
| DB00734 | 10104 | 118 | None | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1021/jm9810396 | ||
| 10623356 | 174908 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL1910243 | 174908 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL43297 | 174908 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 2274 | 9947 | 58 | None | -6 | 31 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 9947 | 58 | None | -6 | 31 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 9947 | 58 | None | -6 | 31 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 9947 | 58 | None | -6 | 31 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 9947 | 58 | None | -6 | 31 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 44331136 | 116458 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL322688 | 116458 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | ||
| 13141184 | 172669 | 0 | None | 17 | 2 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 376 | 1 | 0 | 3 | 5.6 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL424967 | 172669 | 0 | None | 17 | 2 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 376 | 1 | 0 | 3 | 5.6 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 57402365 | 76070 | 0 | None | 10 | 5 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 12 | 1 | 6 | 3.1 | CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928119 | 76070 | 0 | None | 10 | 5 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 12 | 1 | 6 | 3.1 | CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmc.2011.10.063 | ||
| 11393666 | 199765 | 0 | None | -33 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5201983 | 199765 | 0 | None | -33 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5222597 | 199765 | 0 | None | -33 | 19 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | ||
| 53779053 | 85212 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| CHEMBL2111563 | 85212 | 0 | None | 5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| 124 | 9755 | 47 | None | -14 | 32 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2032 | 9755 | 47 | None | -14 | 32 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 4636 | 9755 | 47 | None | -14 | 32 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| CHEMBL762 | 9755 | 47 | None | -14 | 32 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| DB00935 | 9755 | 47 | None | -14 | 32 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 10623356 | 174908 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910243 | 174908 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL43297 | 174908 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 44431618 | 151682 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL391017 | 151682 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 2470 | 10425 | 50 | None | -316 | 58 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 3300 | 10425 | 50 | None | -316 | 58 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 5265 | 10425 | 50 | None | -316 | 58 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 99 | 10425 | 50 | None | -316 | 58 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| CHEMBL267930 | 10425 | 50 | None | -316 | 58 | Bovine | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 44447010 | 161019 | 0 | None | -4 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 5.4 | Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL398618 | 161019 | 0 | None | -4 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 5.4 | Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 44431545 | 151798 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL391107 | 151798 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 9954092 | 203425 | 0 | None | -1000 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL56438 | 203425 | 0 | None | -1000 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 13156 | 10220 | 0 | None | -416 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | ||
| 145946376 | 10220 | 0 | None | -416 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4299993 | 10220 | 0 | None | -416 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | ||
| 12909383 | 137481 | 1 | None | 5 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 278 | 0 | 0 | 2 | 3.6 | CN1CCC(=C2c3ccccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL368413 | 137481 | 1 | None | 5 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 278 | 0 | 0 | 2 | 3.6 | CN1CCC(=C2c3ccccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 9929458 | 129840 | 0 | None | -61 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609359 | 129840 | 0 | None | -61 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | ||
| 11169638 | 23966 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1256344 | 23966 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | ||
| 118717455 | 121913 | 0 | None | -7 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343976 | 121913 | 0 | None | -7 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | ||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | ||
| 13149 | 9323 | 36 | None | -22 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | ||
| 3034396 | 9323 | 36 | None | -22 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | ||
| CHEMBL299031 | 9323 | 36 | None | -22 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | ||
| 9815005 | 116438 | 0 | None | 1 | 3 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL322492 | 116438 | 0 | None | 1 | 3 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL4576555 | 220796 | 5 | None | -1 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL4507307 | ||||
| 9815005 | 116438 | 0 | None | 1 | 3 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL322492 | 116438 | 0 | None | 1 | 3 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 118717455 | 121913 | 0 | None | -7 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343976 | 121913 | 0 | None | -7 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 9908478 | 202415 | 1 | None | -954 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | ||
| CHEMBL556313 | 202415 | 1 | None | -954 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | ||
| 196129 | 74573 | 17 | None | -1698 | 15 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| CHEMBL1909065 | 74573 | 17 | None | -1698 | 15 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | ||
| 9938248 | 108983 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL302882 | 108983 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| 11183468 | 116649 | 2 | None | -2 | 6 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL323402 | 116649 | 2 | None | -2 | 6 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 6918539 | 150997 | 2 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 361 | 2 | 2 | 5 | 3.4 | COc1cc2c(cc1O)[C@@H]1Cc3c(Cl)cc(OC)c(O)c3CN1CC2 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3904484 | 150997 | 2 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 361 | 2 | 2 | 5 | 3.4 | COc1cc2c(cc1O)[C@@H]1Cc3c(Cl)cc(OC)c(O)c3CN1CC2 | 10.1021/acs.jmedchem.6b01217 | ||
| 11173600 | 170159 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 282 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc2c1CCCC2CNC | 10.1021/jm030551a | ||
| CHEMBL419369 | 170159 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 282 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc2c1CCCC2CNC | 10.1021/jm030551a | ||
| CHEMBL4752561 | 220817 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | COc1cc(-c2cn([C@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1 | 10.6019/CHEMBL5212743 | ||||
| CHEMBL4576555 | 220796 | 5 | None | -1 | 19 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL4507307 | ||||
| 10745566 | 41092 | 0 | None | 61 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
| CHEMBL142719 | 41092 | 0 | None | 61 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | ||
| 44431553 | 94359 | 0 | None | -10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233592 | 94359 | 0 | None | -10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44426404 | 92402 | 0 | None | 4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228333 | 92402 | 0 | None | 4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| 18738387 | 170277 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL420184 | 170277 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 16041628 | 162129 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL403280 | 162129 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 49865640 | 22806 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223681 | 22806 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 324 | 7 | 1 | 4 | 3.4 | Cc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 57390117 | 76074 | 0 | None | 16 | 5 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 3.2 | CCOCCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928123 | 76074 | 0 | None | 16 | 5 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 3.2 | CCOCCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmc.2011.10.063 | ||
| 145946714 | 174337 | 0 | None | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 9 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4213352 | 174337 | 0 | None | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 9 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4300399 | 174337 | 0 | None | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 9 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| 10578735 | 127898 | 0 | None | 28 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL357439 | 127898 | 0 | None | 28 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 53328508 | 70171 | 0 | None | 4 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796042 | 70171 | 0 | None | 4 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 44431620 | 93842 | 0 | None | -102 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL232609 | 93842 | 0 | None | -102 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11782656 | 35856 | 0 | None | -75 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | ||
| CHEMBL138109 | 35856 | 0 | None | -75 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | ||
| 10793963 | 106448 | 0 | None | 9 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL284470 | 106448 | 0 | None | 9 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 10793963 | 92045 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260147 | 92045 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| 9938248 | 108983 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL302882 | 108983 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 580 | 2 | 4 | 3 | 6.0 | CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| 12909388 | 67830 | 0 | None | 14 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 0 | 0 | 3 | 3.4 | CN1CCC(=C2c3cc(C#N)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL176365 | 67830 | 0 | None | 14 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 0 | 0 | 3 | 3.4 | CN1CCC(=C2c3cc(C#N)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 6604117 | 194626 | 6 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL2062340 | 194626 | 6 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL49623 | 194626 | 6 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 122187555 | 129833 | 0 | None | -3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 324 | 5 | 1 | 1 | 5.7 | c1ccc2c(C3CCN(CCCC4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609352 | 129833 | 0 | None | -3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 324 | 5 | 1 | 1 | 5.7 | c1ccc2c(C3CCN(CCCC4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| 9845181 | 214940 | 3 | None | -1445 | 13 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | ||
| CHEMBL98241 | 214940 | 3 | None | -1445 | 13 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | ||
| 44314198 | 111189 | 0 | None | -95 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL310335 | 111189 | 0 | None | -95 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 155557696 | 183218 | 0 | None | -30 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4558985 | 183218 | 0 | None | -30 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4596295 | 183218 | 0 | None | -30 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 2477 | 7532 | 59 | None | -218 | 29 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 36 | 7532 | 59 | None | -218 | 29 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 437 | 7532 | 59 | None | -218 | 29 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| CHEMBL49 | 7532 | 59 | None | -218 | 29 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| DB00490 | 7532 | 59 | None | -218 | 29 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 44311789 | 211514 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL74342 | 211514 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 92766 | 113319 | 35 | None | 1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| CHEMBL31410 | 113319 | 35 | None | 1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | ||
| 191 | 7191 | 98 | None | -107 | 29 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 7191 | 98 | None | -107 | 29 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 7191 | 98 | None | -107 | 29 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 7191 | 98 | None | -107 | 29 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 7191 | 98 | None | -107 | 29 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 10804826 | 30387 | 2 | None | -1 | 4 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL133451 | 30387 | 2 | None | -1 | 4 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 3823 | 56995 | 42 | None | -3019 | 11 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 56995 | 42 | None | -3019 | 11 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 56995 | 42 | None | -3019 | 11 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 44582676 | 196558 | 0 | None | -1 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL516088 | 196558 | 0 | None | -1 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 19085836 | 212444 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL82056 | 212444 | 0 | None | 6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | ||
| 11140345 | 210950 | 0 | None | 1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 210950 | 0 | None | 1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9900133 | 15757 | 0 | None | -1 | 4 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL109827 | 15757 | 0 | None | -1 | 4 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 185076 | 193869 | 5 | None | -389 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL49137 | 193869 | 5 | None | -389 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 13298529 | 107996 | 57 | None | -134 | 2 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 241 | 1 | 1 | 3 | 1.3 | Brc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL295921 | 107996 | 57 | None | -134 | 2 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 241 | 1 | 1 | 3 | 1.3 | Brc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 11464777 | 108582 | 0 | None | -363 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1007/s00044-010-9379-1 | ||
| CHEMBL300152 | 108582 | 0 | None | -363 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1007/s00044-010-9379-1 | ||
| 9845181 | 214940 | 3 | None | -1445 | 13 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL98241 | 214940 | 3 | None | -1445 | 13 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | ||
| 44433348 | 174128 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL429453 | 174128 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 7745 | 93 | None | -5 | 90 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 7745 | 93 | None | -5 | 90 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 44460423 | 212395 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL81661 | 212395 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| 44431184 | 99625 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243866 | 99625 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 44295218 | 195881 | 0 | None | 22 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL51019 | 195881 | 0 | None | 22 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 145947937 | 174502 | 0 | None | -3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 9 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4207653 | 174502 | 0 | None | -3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 9 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4302655 | 174502 | 0 | None | -3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 9 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1 | 10.1016/j.bmcl.2018.04.059 | ||
| 44447070 | 101420 | 0 | None | -9 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 6 | 1 | 5 | 5.2 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252429 | 101420 | 0 | None | -9 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 6 | 1 | 5 | 5.2 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | ||
| CHEMBL5270515 | 201388 | 0 | None | -39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 3.6 | CCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315265 | 201388 | 0 | None | -39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 3.6 | CCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 52937222 | 68095 | 0 | None | -15 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 367 | 3 | 0 | 4 | 3.9 | CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 | 10.1021/jm1013874 | ||
| CHEMBL1767156 | 68095 | 0 | None | -15 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 367 | 3 | 0 | 4 | 3.9 | CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1 | 10.1021/jm1013874 | ||
| 10089254 | 106757 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | ||
| CHEMBL286591 | 106757 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | ||
| 53328314 | 70163 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796034 | 70163 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 144096995 | 171275 | 0 | None | -17 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4214499 | 171275 | 0 | None | -17 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| 173712 | 131099 | 20 | None | -8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 4.9 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1021/jm060383x | ||
| CHEMBL363548 | 131099 | 20 | None | -8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 4.9 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1021/jm060383x | ||
| 1862 | 6949 | 18 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
| 510 | 6949 | 18 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
| CHEMBL281232 | 6949 | 18 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00118a019 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 18738412 | 212188 | 0 | None | 2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL80125 | 212188 | 0 | None | 2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| 6603915 | 106758 | 30 | None | -446 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1775000 | 106758 | 30 | None | -446 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL286607 | 106758 | 30 | None | -446 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 2803 | 7742 | 58 | None | -3 | 19 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 7742 | 58 | None | -3 | 19 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 7742 | 58 | None | -3 | 19 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 7742 | 58 | None | -3 | 19 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 7742 | 58 | None | -3 | 19 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 11464777 | 108582 | 0 | None | -363 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1007/s00044-010-9379-1 | ||
| CHEMBL300152 | 108582 | 0 | None | -363 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1007/s00044-010-9379-1 | ||
| 1220 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1016/j.bmcl.2010.01.030 | ||
| 31 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1016/j.bmcl.2010.01.030 | ||
| 7 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL56 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1016/j.bmcl.2010.01.030 | ||
| 1220 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm200421e | ||
| 31 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm200421e | ||
| 7 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm200421e | ||
| CHEMBL56 | 6975 | 55 | None | -407 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm200421e | ||
| 11201573 | 204436 | 0 | None | -3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 5 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL57097 | 204436 | 0 | None | -3 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 5 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 127027077 | 144558 | 0 | None | -7585 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 7 | 2 | 4 | 3.9 | O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3759491 | 144558 | 0 | None | -7585 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 7 | 2 | 4 | 3.9 | O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 10768423 | 108104 | 0 | None | 1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL296711 | 108104 | 0 | None | 1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 16040907 | 104659 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL272340 | 104659 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 10577609 | 33759 | 0 | None | -10 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 509 | 8 | 1 | 9 | 3.5 | COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL136458 | 33759 | 0 | None | -10 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 509 | 8 | 1 | 9 | 3.5 | COc1cc2nc(N3CCN(C(=O)C(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 3952 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| DB00629 | 8669 | 38 | None | -26 | 12 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 127027080 | 144631 | 0 | None | -45 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 443 | 7 | 3 | 4 | 3.3 | O=C(NCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3760110 | 144631 | 0 | None | -45 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 443 | 7 | 3 | 4 | 3.3 | O=C(NCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 11152823 | 172038 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
| CHEMBL423018 | 172038 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
| 76333281 | 91600 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccoc1)C3 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234450 | 91600 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccoc1)C3 | 10.1007/s00044-010-9379-1 | ||
| 11273296 | 177075 | 0 | None | 6 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL444648 | 177075 | 0 | None | 6 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 203096 | 68073 | 3 | None | -630 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 0 | 4 | 3.2 | CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767134 | 68073 | 3 | None | -630 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 0 | 4 | 3.2 | CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 45358442 | 68097 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | ||
| CHEMBL1767158 | 68097 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 | 10.1021/jm1013874 | ||
| 24803799 | 68100 | 0 | None | -79 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 654 | 13 | 0 | 6 | 8.3 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| CHEMBL1767161 | 68100 | 0 | None | -79 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 654 | 13 | 0 | 6 | 8.3 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| 25130875 | 194406 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
| CHEMBL494908 | 194406 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
| 52937730 | 68086 | 0 | None | -794 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 5 | 0 | 5 | 3.1 | COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 | 10.1021/jm1013874 | ||
| CHEMBL1767147 | 68086 | 0 | None | -794 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 5 | 0 | 5 | 3.1 | COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 | 10.1021/jm1013874 | ||
| 24803480 | 68102 | 0 | None | -199 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 614 | 15 | 0 | 6 | 7.2 | CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767163 | 68102 | 0 | None | -199 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 614 | 15 | 0 | 6 | 7.2 | CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 153287574 | 182026 | 0 | None | -21 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4572167 | 182026 | 0 | None | -21 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 11857863 | 92453 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228608 | 92453 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 44426404 | 149344 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL389104 | 149344 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| 124 | 9755 | 47 | None | -13 | 32 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 9755 | 47 | None | -13 | 32 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 9755 | 47 | None | -13 | 32 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 9755 | 47 | None | -13 | 32 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 9755 | 47 | None | -13 | 32 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 67753767 | 129832 | 1 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 5 | 1 | 1 | 5.0 | c1ccc(CCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609351 | 129832 | 1 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 5 | 1 | 1 | 5.0 | c1ccc(CCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | ||
| 56649648 | 74630 | 0 | None | -47 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910139 | 74630 | 0 | None | -47 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 10816903 | 44467 | 0 | None | 32 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145756 | 44467 | 0 | None | 32 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 13507646 | 126392 | 0 | None | -3 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| CHEMBL346492 | 126392 | 0 | None | -3 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| 11801828 | 213323 | 0 | None | 35 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| CHEMBL88628 | 213323 | 0 | None | 35 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| 11801828 | 213323 | 0 | None | 35 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL88628 | 213323 | 0 | None | 35 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1007/s00044-004-0120-9 | ||
| 13507646 | 126392 | 0 | None | -3 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| CHEMBL346492 | 126392 | 0 | None | -3 | 2 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 243 | 0 | 0 | 2 | 4.0 | c1ccc2c3c(sc2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| 11994669 | 18602 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182141 | 18602 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214552 | 18602 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 52942664 | 24416 | 0 | None | 1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258345 | 24416 | 0 | None | 1 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 10621590 | 91381 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153554 | 91381 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221148 | 91381 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 25181488 | 194161 | 0 | None | -33 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| CHEMBL493486 | 194161 | 0 | None | -33 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| 71151588 | 125036 | 0 | None | -169 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL3409256 | 125036 | 0 | None | -169 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 9 | 1 | 7 | 3.6 | NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 | 10.1016/j.ejmech.2014.12.045 | ||
| 14468881 | 183062 | 0 | None | -14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4462600 | 183062 | 0 | None | -14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595111 | 183062 | 0 | None | -14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 71817859 | 109356 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL2419772 | 109356 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| CHEMBL3040801 | 109356 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | ||
| 145962945 | 168122 | 0 | None | -14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4125846 | 168122 | 0 | None | -14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 118716699 | 121609 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3341769 | 121609 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 12203911 | 195062 | 22 | None | -54 | 2 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 1 | 0 | 3 | 1.6 | CN1CCN(c2ncccc2Br)CC1 | 10.1021/jm00366a007 | ||
| CHEMBL50017 | 195062 | 22 | None | -54 | 2 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 255 | 1 | 0 | 3 | 1.6 | CN1CCN(c2ncccc2Br)CC1 | 10.1021/jm00366a007 | ||
| 415628 | 214971 | 95 | None | -13 | 5 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL9841 | 214971 | 95 | None | -13 | 5 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 127027384 | 144456 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 9 | 2 | 5 | 3.5 | CS(=O)(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758610 | 144456 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 9 | 2 | 5 | 3.5 | CS(=O)(=O)Nc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 11500225 | 107978 | 61 | None | -38 | 2 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 289 | 1 | 1 | 3 | 1.1 | Ic1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL295764 | 107978 | 61 | None | -38 | 2 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 289 | 1 | 1 | 3 | 1.1 | Ic1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 44586429 | 191076 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL484102 | 191076 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 44361064 | 38389 | 0 | None | -6 | 6 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
| CHEMBL140450 | 38389 | 0 | None | -6 | 6 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
| 11732516 | 211989 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 5 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(c2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL78584 | 211989 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 5 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(c2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 9817256 | 211017 | 0 | None | 2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71001 | 211017 | 0 | None | 2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 44586483 | 179246 | 0 | None | 1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL448198 | 179246 | 0 | None | 1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 24894141 | 194188 | 0 | None | -30 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| CHEMBL493697 | 194188 | 0 | None | -30 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| 9944467 | 16023 | 0 | None | 1 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | ||
| CHEMBL110751 | 16023 | 0 | None | 1 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | ||
| 10420352 | 175519 | 10 | None | -63 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| CHEMBL43711 | 175519 | 10 | None | -63 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00118a019 | ||
| 24839550 | 144093 | 14 | None | -26 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3752576 | 144093 | 14 | None | -26 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 7 | 1 | 1 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 127024960 | 144494 | 0 | None | -15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 421 | 7 | 1 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758920 | 144494 | 0 | None | -15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 421 | 7 | 1 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 11742585 | 170127 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL419164 | 170127 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL4576555 | 220796 | 5 | None | -1 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL5212743 | ||||
| 76322411 | 91589 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 375 | 7 | 1 | 4 | 4.0 | c1ccc(OCCNC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234439 | 91589 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 375 | 7 | 1 | 4 | 4.0 | c1ccc(OCCNC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1007/s00044-010-9379-1 | ||
| 11176459 | 108414 | 0 | None | -181 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL299022 | 108414 | 0 | None | -181 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 155536203 | 183186 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4473623 | 183186 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4596045 | 183186 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 25131198 | 93035 | 0 | None | -288 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL2312537 | 93035 | 0 | None | -288 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | ||
| 25181489 | 194136 | 0 | None | -158 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
| CHEMBL493285 | 194136 | 0 | None | -158 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
| 25131198 | 93035 | 0 | None | -288 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
| CHEMBL2312537 | 93035 | 0 | None | -288 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
| 76307951 | 91601 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCOc1c(OC)cccc1OC)C3 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234451 | 91601 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCOc1c(OC)cccc1OC)C3 | 10.1007/s00044-010-9379-1 | ||
| 11784634 | 43288 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
| CHEMBL144779 | 43288 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
| 76307951 | 91601 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCOc1c(OC)cccc1OC)C3 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234451 | 91601 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCOc1c(OC)cccc1OC)C3 | 10.1007/s00044-010-9379-1 | ||
| 9818490 | 16149 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 5 | 2 | 3 | 3.0 | CCCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111391 | 16149 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 5 | 2 | 3 | 3.0 | CCCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 53328503 | 70166 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796037 | 70166 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 9818490 | 16149 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 5 | 2 | 3 | 3.0 | CCCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111391 | 16149 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 319 | 5 | 2 | 3 | 3.0 | CCCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 9966903 | 176192 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
| CHEMBL442394 | 176192 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
| 44431562 | 94749 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234194 | 94749 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431557 | 96053 | 0 | None | -8 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL236830 | 96053 | 0 | None | -8 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 49865639 | 22805 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 328 | 7 | 1 | 4 | 3.2 | Fc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223680 | 22805 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 328 | 7 | 1 | 4 | 3.2 | Fc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 44288485 | 169299 | 0 | None | 29 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL41677 | 169299 | 0 | None | 29 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
| 44288359 | 162525 | 0 | None | -2 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL40564 | 162525 | 0 | None | -2 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 44447072 | 101421 | 0 | None | -25 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 483 | 6 | 1 | 6 | 4.5 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252430 | 101421 | 0 | None | -25 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 483 | 6 | 1 | 6 | 4.5 | O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)c1cccnc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 6604803 | 123296 | 2 | None | -7 | 4 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL336161 | 123296 | 2 | None | -7 | 4 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 118716705 | 121776 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342858 | 121776 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 11176459 | 108414 | 0 | None | -181 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL299022 | 108414 | 0 | None | -181 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 9934955 | 79051 | 0 | None | -489 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19826 | 79051 | 0 | None | -489 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 11098175 | 210949 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL70691 | 210949 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 1220 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | ||
| 31 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | ||
| 7 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | ||
| CHEMBL56 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm010866v | ||
| 1220 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | ||
| 31 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | ||
| 7 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | ||
| CHEMBL56 | 6975 | 55 | None | -407 | 44 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm0009336 | ||
| 53248365 | 68860 | 0 | None | -186 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | ||
| CHEMBL1774995 | 68860 | 0 | None | -186 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | ||
| 71817545 | 98899 | 0 | None | -58 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419765 | 98899 | 0 | None | -58 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 126720252 | 171454 | 0 | None | -63 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4216870 | 171454 | 0 | None | -63 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 18738382 | 22039 | 0 | None | 33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12127 | 22039 | 0 | None | 33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 9888164 | 24723 | 1 | None | 25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12603 | 24723 | 1 | None | 25 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 289 | 7030 | 12 | None | -1 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 9948320 | 7030 | 12 | None | -1 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| CHEMBL1242950 | 7030 | 12 | None | -1 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 44431564 | 155138 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL393725 | 155138 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44308443 | 210732 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL69339 | 210732 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 9864676 | 134586 | 0 | None | -1 | 5 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 4.5 | O=C(CCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm950759z | ||
| CHEMBL366388 | 134586 | 0 | None | -1 | 5 | Bovine | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 4.5 | O=C(CCCN1CCN(C2CCCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm950759z | ||
| 145950240 | 169480 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4170675 | 169480 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 10787126 | 91345 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153558 | 91345 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220897 | 91345 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10893672 | 212191 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL80132 | 212191 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 11109088 | 210959 | 0 | None | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 210959 | 0 | None | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9824384 | 125565 | 1 | None | -17 | 8 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| CHEMBL342062 | 125565 | 1 | None | -17 | 8 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| 10252540 | 92132 | 1 | None | -83 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261604 | 92132 | 1 | None | -83 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 3251 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
| 5684 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
| 80 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL31354 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | ||
| 3251 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
| 5684 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
| 80 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL31354 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | ||
| 3251 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
| 5684 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
| 80 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL31354 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | ||
| 3251 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
| 5684 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
| 80 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
| CHEMBL31354 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | ||
| 118716720 | 121792 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342873 | 121792 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 10575664 | 125986 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 453 | 7 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL343283 | 125986 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 453 | 7 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 10575664 | 125986 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 453 | 7 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL343283 | 125986 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 453 | 7 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 16756754 | 98904 | 27 | None | -81 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 7.0 | Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 | 10.1021/jm060383x | ||
| CHEMBL242004 | 98904 | 27 | None | -81 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 7.0 | Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 | 10.1021/jm060383x | ||
| 11412944 | 108286 | 69 | None | -223 | 2 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL298004 | 108286 | 69 | None | -223 | 2 | Bovine | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 70820518 | 174306 | 0 | None | -104 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4213747 | 174306 | 0 | None | -104 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4300105 | 174306 | 0 | None | -104 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| 57400562 | 76093 | 0 | None | -1 | 5 | Pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 14 | 1 | 6 | 3.6 | CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928247 | 76093 | 0 | None | -1 | 5 | Pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 14 | 1 | 6 | 3.6 | CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1 | 10.1016/j.bmc.2011.10.063 | ||
| 44420419 | 90206 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL219719 | 90206 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | ||
| 10198248 | 194228 | 40 | None | -83 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL49395 | 194228 | 40 | None | -83 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | ||
| 134149777 | 155290 | 0 | None | -199 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL3938383 | 155290 | 0 | None | -199 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | ||
| 11464777 | 108582 | 0 | None | -457 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
| CHEMBL300152 | 108582 | 0 | None | -457 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
| 44431613 | 94357 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233584 | 94357 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| 10792536 | 213555 | 0 | None | 14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| CHEMBL90184 | 213555 | 0 | None | 14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 44431614 | 94812 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234474 | 94812 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 13141182 | 137671 | 1 | None | 10 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3cc(Br)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL368578 | 137671 | 1 | None | 10 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3cc(Br)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 127027078 | 144605 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 4.7 | O=C(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3759865 | 144605 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 3 | 4.7 | O=C(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 57395341 | 76086 | 0 | None | 2 | 5 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 1 | 8 | 2.8 | CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928135 | 76086 | 0 | None | 2 | 5 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 13 | 1 | 8 | 2.8 | CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| 71508682 | 93823 | 0 | None | 45 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 371 | 3 | 0 | 5 | 4.2 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccnn4C)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325927 | 93823 | 0 | None | 45 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 371 | 3 | 0 | 5 | 4.2 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccnn4C)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 71508711 | 93831 | 0 | None | 43 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 3 | 0 | 5 | 4.3 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325934 | 93831 | 0 | None | 43 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 369 | 3 | 0 | 5 | 4.3 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 10698974 | 97897 | 0 | None | 102 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL239806 | 97897 | 0 | None | 102 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm401958n | ||
| 42631003 | 206397 | 13 | None | -97 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 304 | 3 | 0 | 2 | 4.2 | Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
| CHEMBL592752 | 206397 | 13 | None | -97 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 304 | 3 | 0 | 2 | 4.2 | Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
| 50905588 | 63127 | 0 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630941 | 63127 | 0 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 10575494 | 172526 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 449 | 7 | 1 | 8 | 2.5 | COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL424658 | 172526 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 449 | 7 | 1 | 8 | 2.5 | COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 44329027 | 10940 | 0 | None | 9 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL100045 | 10940 | 0 | None | 9 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 10363912 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL1082862 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL286003 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 10363912 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1082862 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL286003 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 10363912 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
| CHEMBL1082862 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
| CHEMBL286003 | 13310 | 0 | None | -36 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
| 11653915 | 130790 | 0 | None | -5 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL362954 | 130790 | 0 | None | -5 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
| 52945156 | 23830 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254660 | 23830 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 118716722 | 121794 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342875 | 121794 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | ||
| 44298747 | 108785 | 0 | None | -3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 2.7 | O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL301650 | 108785 | 0 | None | -3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 2.7 | O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 9887458 | 202452 | 0 | None | -512 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL55654 | 202452 | 0 | None | -512 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 53328313 | 70161 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796032 | 70161 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 145958538 | 169044 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4163810 | 169044 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 9905929 | 19585 | 0 | None | -26 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 4.5 | Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188265 | 19585 | 0 | None | -26 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 4.5 | Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL535837 | 19585 | 0 | None | -26 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 4.5 | Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | ||
| 9904117 | 16174 | 3 | None | -1 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111554 | 16174 | 3 | None | -1 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 44531812 | 201461 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL532818 | 201461 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| 9904117 | 16174 | 3 | None | -1 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111554 | 16174 | 3 | None | -1 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 44314200 | 109729 | 0 | None | -81 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL306377 | 109729 | 0 | None | -81 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 44531812 | 201461 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL532818 | 201461 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL5291469 | 201419 | 0 | None | -70 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 508 | 8 | 1 | 6 | 3.6 | O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCOCC1 | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315702 | 201419 | 0 | None | -70 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 508 | 8 | 1 | 6 | 3.6 | O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCOCC1 | 10.1021/acsmedchemlett.7b00112 | ||
| 44586479 | 195406 | 0 | None | 1 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL503007 | 195406 | 0 | None | 1 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 52937732 | 68088 | 0 | None | -794 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 3.4 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767149 | 68088 | 0 | None | -794 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 3.4 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 52937828 | 68091 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 5 | 0 | 4 | 3.3 | CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767152 | 68091 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 5 | 0 | 4 | 3.3 | CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 25130879 | 180016 | 0 | None | -47 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
| CHEMBL452437 | 180016 | 0 | None | -47 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
| 134138438 | 154121 | 0 | None | -66 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL3929328 | 154121 | 0 | None | -66 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
| 25025581 | 208775 | 0 | None | -3 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| CHEMBL608151 | 208775 | 0 | None | -3 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | ||
| 294234 | 109670 | 3 | None | -512 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL305928 | 109670 | 3 | None | -512 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| 25164129 | 167939 | 0 | None | -3715 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL4088036 | 167939 | 0 | None | -3715 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL4117406 | 167939 | 0 | None | -3715 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | ||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 44431560 | 152356 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL391530 | 152356 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11081136 | 212005 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL78676 | 212005 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 4431 | 9506 | 25 | None | 1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2004.11.032 | ||
| 73 | 9506 | 25 | None | 1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL8618 | 9506 | 25 | None | 1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2004.11.032 | ||
| 9909211 | 100983 | 1 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL24981 | 100983 | 1 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 181743 | 185351 | 5 | None | 24 | 22 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| CHEMBL467094 | 185351 | 5 | None | 24 | 22 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| 49781681 | 24658 | 0 | None | -1 | 4 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | ||
| CHEMBL1259098 | 24658 | 0 | None | -1 | 4 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | ||
| 10097317 | 206863 | 0 | None | 288 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL59590 | 206863 | 0 | None | 288 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 10026936 | 170237 | 0 | None | 114 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL41994 | 170237 | 0 | None | 114 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 11200086 | 203203 | 0 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL56292 | 203203 | 0 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 44312563 | 211699 | 2 | None | -1 | 7 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | ||
| CHEMBL76168 | 211699 | 2 | None | -1 | 7 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | ||
| 10531 | 8202 | 21 | None | -5 | 24 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 121 | 8202 | 21 | None | -5 | 24 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 888 | 8202 | 21 | None | -5 | 24 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL1732 | 8202 | 21 | None | -5 | 24 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00320 | 8202 | 21 | None | -5 | 24 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 46934945 | 23470 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242912 | 23470 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 100 | 10577 | 58 | None | 1 | 54 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 10577 | 58 | None | 1 | 54 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 10577 | 58 | None | 1 | 54 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 10577 | 58 | None | 1 | 54 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 10577 | 58 | None | 1 | 54 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 6761 | 74574 | 19 | None | 1 | 18 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 74574 | 19 | None | 1 | 18 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 46882034 | 12573 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1078773 | 12573 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 121102 | 150744 | 2 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 8 | 0 | 5 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3902626 | 150744 | 2 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 8 | 0 | 5 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 11801214 | 108998 | 0 | None | 25 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| CHEMBL302942 | 108998 | 0 | None | 25 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | ||
| 9844511 | 111373 | 0 | None | 85 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL310471 | 111373 | 0 | None | 85 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| 56961460 | 128216 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 477 | 4 | 2 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| CHEMBL3582268 | 128216 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 477 | 4 | 2 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| 10393665 | 40696 | 0 | None | 47 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL142383 | 40696 | 0 | None | 47 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 10627279 | 43987 | 0 | None | 47 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL145334 | 43987 | 0 | None | 47 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 10767626 | 162102 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL40310 | 162102 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10502807 | 169924 | 0 | None | -3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL417890 | 169924 | 0 | None | -3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 71454865 | 91378 | 0 | None | -2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153551 | 91378 | 0 | None | -2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221145 | 91378 | 0 | None | -2 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10698630 | 51207 | 0 | None | 1230 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 11 | 3 | 8 | 3.4 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL151878 | 51207 | 0 | None | 1230 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 11 | 3 | 8 | 3.4 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 11857791 | 92415 | 0 | None | 10 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228390 | 92415 | 0 | None | 10 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| 11857638 | 150588 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL390129 | 150588 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 10792591 | 213602 | 0 | None | 15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/j.ejmech.2017.03.025 | ||
| CHEMBL90453 | 213602 | 0 | None | 15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/j.ejmech.2017.03.025 | ||
| 11071135 | 214787 | 0 | None | 3 | 8 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | ||
| CHEMBL97333 | 214787 | 0 | None | 3 | 8 | Bovine | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | ||
| 56837419 | 76079 | 0 | None | -9 | 5 | Pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 997 | 35 | 2 | 14 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928128 | 76079 | 0 | None | -9 | 5 | Pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 997 | 35 | 2 | 14 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 10792591 | 213602 | 0 | None | 15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
| CHEMBL90453 | 213602 | 0 | None | 15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | ||
| 44447005 | 101501 | 0 | None | -7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 6 | 1 | 5 | 4.2 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL253024 | 101501 | 0 | None | -7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 6 | 1 | 5 | 4.2 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C1CC1 | 10.1016/j.bmcl.2007.11.106 | ||
| 6604803 | 123296 | 2 | None | 7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL336161 | 123296 | 2 | None | 7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 10406315 | 200104 | 0 | None | 120 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 2 | 2 | 5 | 3.5 | COc1cc2c(cc1O)C[C@H]1c3c(c(Cl)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| CHEMBL524439 | 200104 | 0 | None | 120 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 2 | 2 | 5 | 3.5 | COc1cc2c(cc1O)C[C@H]1c3c(c(Cl)c(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| 134152568 | 159866 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3976144 | 159866 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 | 10.1016/j.ejmech.2016.06.052 | ||
| 11014848 | 211903 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL77901 | 211903 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 10791843 | 170179 | 0 | None | 138 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| CHEMBL419497 | 170179 | 0 | None | 138 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 44299945 | 108703 | 0 | None | 41 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL301024 | 108703 | 0 | None | 41 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 44294958 | 195110 | 0 | None | 151 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL50081 | 195110 | 0 | None | 151 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 71508687 | 93829 | 0 | None | 33 | 2 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 3 | 0 | 3 | 5.6 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325932 | 93829 | 0 | None | 33 | 2 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 3 | 0 | 3 | 5.6 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 76333280 | 91592 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234442 | 91592 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| 11133868 | 162121 | 0 | None | 4 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL40325 | 162121 | 0 | None | 4 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 76333280 | 91592 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234442 | 91592 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.3 | COc1cccc(OC)c1OCCN[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1007/s00044-010-9379-1 | ||
| 132266 | 8061 | 12 | None | -7 | 9 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 486 | 8061 | 12 | None | -7 | 9 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| CHEMBL423294 | 8061 | 12 | None | -7 | 9 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | ||
| 19085894 | 212338 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL81173 | 212338 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | ||
| 3037308 | 50853 | 27 | None | 2 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 452 | 7 | 1 | 7 | 4.2 | O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12 | 10.1021/jm9810396 | ||
| CHEMBL151475 | 50853 | 27 | None | 2 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 452 | 7 | 1 | 7 | 4.2 | O=c1c(CO)coc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12 | 10.1021/jm9810396 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 44300159 | 108612 | 0 | None | 275 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL300355 | 108612 | 0 | None | 275 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 44300170 | 175039 | 0 | None | 4 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL433832 | 175039 | 0 | None | 4 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 10793261 | 127831 | 0 | None | 2290 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
| CHEMBL356829 | 127831 | 0 | None | 2290 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | ||
| 10326069 | 46070 | 1 | None | 23 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL147077 | 46070 | 1 | None | 23 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 490 | 6979 | 8 | None | -36 | 12 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9890547 | 6979 | 8 | None | -36 | 12 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL268758 | 6979 | 8 | None | -36 | 12 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 10647424 | 213560 | 0 | None | 741 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.0 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| CHEMBL90210 | 213560 | 0 | None | 741 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 7 | 3 | 4 | 3.0 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| 9909211 | 100983 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | ||
| CHEMBL24981 | 100983 | 1 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | ||
| 52940951 | 23851 | 0 | None | -3 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254828 | 23851 | 0 | None | -3 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 52943356 | 23852 | 0 | None | -2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254829 | 23852 | 0 | None | -2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 3584 | 10549 | 64 | None | -3 | 14 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| 5401 | 10549 | 64 | None | -3 | 14 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| 7302 | 10549 | 64 | None | -3 | 14 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| CHEMBL611 | 10549 | 64 | None | -3 | 14 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| DB01162 | 10549 | 64 | None | -3 | 14 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970166j | ||
| 44298735 | 205239 | 0 | None | 39 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 472 | 8 | 1 | 6 | 3.0 | CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL57740 | 205239 | 0 | None | 39 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 472 | 8 | 1 | 6 | 3.0 | CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 10674647 | 45750 | 0 | None | 457 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 2 | 8 | 4.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL146815 | 45750 | 0 | None | 457 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 2 | 8 | 4.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| 10674647 | 45750 | 0 | None | 457 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 2 | 8 | 4.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL146815 | 45750 | 0 | None | 457 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 2 | 8 | 4.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 11144555 | 212017 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL78785 | 212017 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | ||
| 490 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 9890547 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL268758 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 10576280 | 118194 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 469 | 7 | 3 | 4 | 3.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| CHEMBL327327 | 118194 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 469 | 7 | 3 | 4 | 3.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | ||
| 9891166 | 40386 | 0 | None | -6 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL14213 | 40386 | 0 | None | -6 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 490 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9890547 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL268758 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | ||
| 9847845 | 35226 | 0 | None | -10 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13754 | 35226 | 0 | None | -10 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 155532148 | 178480 | 0 | None | -1 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL4466677 | 178480 | 0 | None | -1 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
| 44431545 | 94856 | 0 | None | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234669 | 94856 | 0 | None | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431174 | 99578 | 0 | None | -8 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243692 | 99578 | 0 | None | -8 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 71508683 | 93824 | 0 | None | 56 | 2 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnn(C)c4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325928 | 93824 | 0 | None | 56 | 2 | Bovine | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnn(C)c4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 44447001 | 162252 | 0 | None | -30 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 3.6 | NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL404000 | 162252 | 0 | None | -30 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 378 | 4 | 1 | 5 | 3.6 | NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 10716964 | 107368 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL291769 | 107368 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 11655728 | 23416 | 8 | None | -39 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 468 | 5 | 1 | 7 | 3.1 | Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1 | 10.1021/jm100482n | ||
| CHEMBL1241913 | 23416 | 8 | None | -39 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 468 | 5 | 1 | 7 | 3.1 | Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(N)=O)ncn4-5)CC3)cccc2n1 | 10.1021/jm100482n | ||
| 134147055 | 156353 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3946843 | 156353 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 | 10.1016/j.ejmech.2016.06.052 | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| 31101 | 7516 | 40 | None | -4 | 35 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 35 | 7516 | 40 | None | -4 | 35 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 403 | 7516 | 40 | None | -4 | 35 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| CHEMBL493 | 7516 | 40 | None | -4 | 35 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| DB01200 | 7516 | 40 | None | -4 | 35 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | ||
| 11154198 | 208393 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL60583 | 208393 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11994797 | 19086 | 0 | None | 1 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL1185017 | 19086 | 0 | None | 1 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL383938 | 19086 | 0 | None | 1 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| 45268939 | 203439 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| CHEMBL564481 | 203439 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| 11154198 | 208393 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL60583 | 208393 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11487449 | 202268 | 0 | None | -1 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL55319 | 202268 | 0 | None | -1 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 10506674 | 126502 | 0 | None | 354 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 542 | 9 | 3 | 7 | 3.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL347559 | 126502 | 0 | None | 354 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 542 | 9 | 3 | 7 | 3.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 46934787 | 23458 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242724 | 23458 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 134147929 | 156420 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3947302 | 156420 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 11145007 | 170872 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| CHEMBL420959 | 170872 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | ||
| 19085832 | 170555 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL420578 | 170555 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | ||
| 2337 | 10030 | 77 | None | -5 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 10030 | 77 | None | -5 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 10030 | 77 | None | -5 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 10030 | 77 | None | -5 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 10030 | 77 | None | -5 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 10578926 | 125744 | 0 | None | 75 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL342347 | 125744 | 0 | None | 75 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 9890459 | 23703 | 0 | None | 13 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12529 | 23703 | 0 | None | 13 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 45560410 | 7872 | 0 | None | -891 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 6 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1 | 10.1021/acs.jmedchem.2c00633 | ||
| 9825 | 7872 | 0 | None | -891 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 6 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL4205290 | 7872 | 0 | None | -891 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 6 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1 | 10.1021/acs.jmedchem.2c00633 | ||
| 10640907 | 11684 | 1 | None | -21 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 6 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL104593 | 11684 | 1 | None | -21 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 6 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 56971026 | 76017 | 0 | None | -12 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 7 | 1 | 6 | 2.1 | COc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL1927088 | 76017 | 0 | None | -12 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 7 | 1 | 6 | 2.1 | COc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL5172506 | 76017 | 0 | None | -12 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 7 | 1 | 6 | 2.1 | COc1ccccc1N1CCN(CCCN/C(=N\C#N)c2ccccn2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 44431553 | 94261 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233416 | 94261 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44390704 | 71327 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 7 | 2 | 10 | -0.2 | Cn1c(NCCCN2CCN(c3ccc4c(c3)OCC(CO)O4)CC2)cc(=O)n(C)c1=O | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL181475 | 71327 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 7 | 2 | 10 | -0.2 | Cn1c(NCCCN2CCN(c3ccc4c(c3)OCC(CO)O4)CC2)cc(=O)n(C)c1=O | 10.1016/j.bmcl.2004.11.032 | ||
| 44331090 | 215172 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL99614 | 215172 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | ||
| 13141183 | 168742 | 1 | None | 15 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 0 | 0 | 2 | 4.6 | CN1CCC(=C2c3cc(Cl)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL415761 | 168742 | 1 | None | 15 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 0 | 0 | 2 | 4.6 | CN1CCC(=C2c3cc(Cl)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 3251 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| 5684 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| 80 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL31354 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | ||
| 10839106 | 118372 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| CHEMBL328268 | 118372 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | ||
| 11800744 | 214110 | 0 | None | 10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| CHEMBL93523 | 214110 | 0 | None | 10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| 24854106 | 167840 | 1 | None | 2 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 6 | 1 | 3 | 3.9 | O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm070279v | ||
| CHEMBL411663 | 167840 | 1 | None | 2 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 6 | 1 | 3 | 3.9 | O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm070279v | ||
| 3251 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | ||
| 5684 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | ||
| 80 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | ||
| CHEMBL31354 | 10844 | 58 | None | -64 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm1009956 | ||
| 10603951 | 213295 | 0 | None | 11 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL88448 | 213295 | 0 | None | 11 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 10603951 | 92046 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 5.9 | COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260148 | 92046 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 5.9 | COC(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 11097789 | 109775 | 1 | None | -4 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 109775 | 1 | None | -4 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10934575 | 211265 | 0 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 211265 | 0 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 9894818 | 105701 | 0 | None | 83 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL279436 | 105701 | 0 | None | 83 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 53328684 | 70172 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796043 | 70172 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 46881494 | 13380 | 0 | None | -20 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1083182 | 13380 | 0 | None | -20 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 10106205 | 213916 | 1 | None | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 251 | 2 | 2 | 3 | 3.0 | Cc1c(NC2=NCCN2)cccc1-c1ccccc1 | 10.1021/jm030030n | ||
| CHEMBL92221 | 213916 | 1 | None | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 251 | 2 | 2 | 3 | 3.0 | Cc1c(NC2=NCCN2)cccc1-c1ccccc1 | 10.1021/jm030030n | ||
| 10183297 | 100087 | 0 | None | -109 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 464 | 7 | 1 | 3 | 6.7 | CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1 | 10.1021/jm060383x | ||
| CHEMBL245231 | 100087 | 0 | None | -109 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 464 | 7 | 1 | 3 | 6.7 | CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1 | 10.1021/jm060383x | ||
| 102 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| 3659 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| 8969 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| CHEMBL15245 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| DB01392 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| 57393634 | 76094 | 0 | None | -1 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 953 | 32 | 2 | 13 | 6.2 | COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928248 | 76094 | 0 | None | -1 | 5 | Pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 953 | 32 | 2 | 13 | 6.2 | COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 2737203 | 190703 | 83 | None | -141 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 1 | 1 | 4 | 0.4 | N#Cc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL48137 | 190703 | 83 | None | -141 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 1 | 1 | 4 | 0.4 | N#Cc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 1028 | 7079 | 71 | None | -48 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 139148732 | 7079 | 71 | None | -48 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 479 | 7079 | 71 | None | -48 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 5816 | 7079 | 71 | None | -48 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| CHEMBL679 | 7079 | 71 | None | -48 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| DB00668 | 7079 | 71 | None | -48 | 30 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00118a019 | ||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | ||
| 10892762 | 85596 | 0 | None | -52 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | ||
| CHEMBL2112774 | 85596 | 0 | None | -52 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | ||
| 12134995 | 108919 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL302495 | 108919 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 9885114 | 126382 | 5 | None | -47 | 12 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| CHEMBL346389 | 126382 | 5 | None | -47 | 12 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| 218362 | 211579 | 5 | None | -75 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL75030 | 211579 | 5 | None | -75 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 216 | 1 | 1 | 3 | 2.0 | c1ccc2c(c1)CCCC2NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 9904606 | 16158 | 0 | None | -2 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | ||
| CHEMBL111463 | 16158 | 0 | None | -2 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | ||
| 11347303 | 118157 | 0 | None | -91 | 5 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
| CHEMBL327116 | 118157 | 0 | None | -91 | 5 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
| 1220 | 6975 | 55 | None | -1659 | 44 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
| 31 | 6975 | 55 | None | -1659 | 44 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
| 7 | 6975 | 55 | None | -1659 | 44 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
| CHEMBL56 | 6975 | 55 | None | -1659 | 44 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | ||
| 11857709 | 92414 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL228389 | 92414 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857709 | 92414 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228389 | 92414 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 26987 | 7736 | 33 | None | -75 | 21 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 7736 | 33 | None | -75 | 21 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 7736 | 33 | None | -75 | 21 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 7736 | 33 | None | -75 | 21 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 7736 | 33 | None | -75 | 21 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 9798183 | 19912 | 0 | None | -33 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1190579 | 19912 | 0 | None | -33 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL541129 | 19912 | 0 | None | -33 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 11496213 | 22846 | 0 | None | -35 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 6.1 | Clc1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223800 | 22846 | 0 | None | -35 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 6.1 | Clc1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| 46934789 | 23463 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242819 | 23463 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 118716708 | 121780 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342861 | 121780 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 73346042 | 98609 | 5 | None | -213 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| CHEMBL2413153 | 98609 | 5 | None | -213 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| 73346042 | 98609 | 5 | None | -213 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL2413153 | 98609 | 5 | None | -213 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1021/acs.jmedchem.2c00633 | ||
| 53328316 | 70165 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796036 | 70165 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 13938356 | 191857 | 0 | None | -154 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN(C1CCN2CCc3c(oc4ccccc34)C2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
| CHEMBL48558 | 191857 | 0 | None | -154 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN(C1CCN2CCc3c(oc4ccccc34)C2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
| 127027079 | 144554 | 0 | None | -416 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.7 | O=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3759441 | 144554 | 0 | None | -416 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.7 | O=C1Cc2c(cccc2N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)N1 | 10.1016/j.bmcl.2015.12.068 | ||
| 145946733 | 174359 | 0 | None | -14 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.2 | COc1ccc(N2CCN(CCCOc3c(C)cc(C)cc3C)CC2)cc1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4205526 | 174359 | 0 | None | -14 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.2 | COc1ccc(N2CCN(CCCOc3c(C)cc(C)cc3C)CC2)cc1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4300710 | 174359 | 0 | None | -14 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 368 | 7 | 0 | 4 | 4.2 | COc1ccc(N2CCN(CCCOc3c(C)cc(C)cc3C)CC2)cc1 | 10.1016/j.bmcl.2018.04.059 | ||
| 11176459 | 108414 | 0 | None | -229 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL299022 | 108414 | 0 | None | -229 | 5 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 44312037 | 211398 | 1 | None | -2 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL73392 | 211398 | 1 | None | -2 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 179268 | 108943 | 6 | None | -4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 2 | 3 | 1 | 6.2 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL302637 | 108943 | 6 | None | -4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 2 | 3 | 1 | 6.2 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | ||
| 11959098 | 186315 | 56 | None | -79 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 1 | 0 | 3 | 1.5 | CN1CCN(c2ncccc2Cl)CC1 | 10.1021/jm00366a007 | ||
| CHEMBL47415 | 186315 | 56 | None | -79 | 2 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 1 | 0 | 3 | 1.5 | CN1CCN(c2ncccc2Cl)CC1 | 10.1021/jm00366a007 | ||
| 10737133 | 213440 | 0 | None | -15 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 358 | 6 | 0 | 5 | 2.3 | COc1ccccc1N1CCN(CCCN2CC3CCCCN3C2)CC1 | 10.1021/jm970216k | ||
| CHEMBL89380 | 213440 | 0 | None | -15 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 358 | 6 | 0 | 5 | 2.3 | COc1ccccc1N1CCN(CCCN2CC3CCCCN3C2)CC1 | 10.1021/jm970216k | ||
| 10028436 | 10305 | 5 | None | -109 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
| 3237 | 10305 | 5 | None | -109 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
| CHEMBL95104 | 10305 | 5 | None | -109 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 4.9 | Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2 | 10.1016/s0960-894x(02)00690-x | ||
| 10903226 | 20542 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1195368 | 20542 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL554416 | 20542 | 0 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44314200 | 109729 | 0 | None | -81 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL306377 | 109729 | 0 | None | -81 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.4 | c1ccc2c(c1)CCCC2NC1=NCCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 10626453 | 128793 | 0 | None | 72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL359430 | 128793 | 0 | None | 72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
| 38 | 7745 | 93 | None | -5 | 90 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
| 722 | 7745 | 93 | None | -5 | 90 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9810396 | ||
| 10768610 | 210549 | 0 | None | 24 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 8 | 2 | 7 | 2.5 | COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL68045 | 210549 | 0 | None | 24 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 8 | 2 | 7 | 2.5 | COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 9888164 | 24723 | 1 | None | 25 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL12603 | 24723 | 1 | None | 25 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 16041264 | 102218 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL257077 | 102218 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 71508710 | 93830 | 0 | None | 50 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 3 | 0 | 4 | 4.9 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cccnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325933 | 93830 | 0 | None | 50 | 2 | Bovine | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 3 | 0 | 4 | 4.9 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cccnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 44289026 | 173165 | 0 | None | 87 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL42763 | 173165 | 0 | None | 87 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 9879119 | 16218 | 0 | None | 4 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111771 | 16218 | 0 | None | 4 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 53327991 | 70175 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796046 | 70175 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 145962368 | 168236 | 0 | None | -74 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4127483 | 168236 | 0 | None | -74 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
| 9879119 | 16218 | 0 | None | 4 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111771 | 16218 | 0 | None | 4 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 102 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| 3659 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| 8969 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| CHEMBL15245 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| DB01392 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| 145947545 | 174473 | 0 | None | -199 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4208816 | 174473 | 0 | None | -199 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4302269 | 174473 | 0 | None | -199 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | ||
| 102 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00150a002 | ||
| 3659 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00150a002 | ||
| 8969 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00150a002 | ||
| CHEMBL15245 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00150a002 | ||
| DB01392 | 10899 | 48 | None | -85 | 49 | Bovine | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00150a002 | ||
| 44301572 | 208154 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 6.8 | Cc1ccc(C2(c3ccc(C)cc3)CC(=S)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL60452 | 208154 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 6.8 | Cc1ccc(C2(c3ccc(C)cc3)CC(=S)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 3303 | 9024 | 46 | None | -3235 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
| 5311200 | 9024 | 46 | None | -3235 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
| CHEMBL267014 | 9024 | 46 | None | -3235 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | 10.1021/acs.jmedchem.7b00151 | ||
| 76307952 | 91605 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 7 | 1 | 4 | 4.0 | c1ccc(OCCNC2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234455 | 91605 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 7 | 1 | 4 | 4.0 | c1ccc(OCCNC2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1007/s00044-010-9379-1 | ||
| 145962817 | 168298 | 0 | None | -74 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128311 | 168298 | 0 | None | -74 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 44568818 | 194484 | 0 | None | -6 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
| CHEMBL495289 | 194484 | 0 | None | -6 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
| 6917970 | 10463 | 61 | None | -512 | 33 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1021/acs.jmedchem.6b01217 | ||
| 8370 | 10463 | 61 | None | -512 | 33 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL487387 | 10463 | 61 | None | -512 | 33 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | 10.1021/acs.jmedchem.6b01217 | ||
| 44271903 | 70058 | 0 | None | - | 1 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 208 | 1 | 0 | 2 | 2.5 | CN1CC=C(c2ncccc2Cl)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL17926 | 70058 | 0 | None | - | 1 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 208 | 1 | 0 | 2 | 2.5 | CN1CC=C(c2ncccc2Cl)CC1 | 10.1021/jm00375a017 | ||
| 11655403 | 22847 | 0 | None | -208 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 5.8 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223801 | 22847 | 0 | None | -208 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 5.8 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 73347826 | 99317 | 0 | None | -1 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432049 | 99317 | 0 | None | -1 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| 134157330 | 160483 | 0 | None | -75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL3981480 | 160483 | 0 | None | -75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
| 115 | 7131 | 71 | None | -2 | 7 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| 2092 | 7131 | 71 | None | -2 | 7 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| 7109 | 7131 | 71 | None | -2 | 7 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| CHEMBL709 | 7131 | 71 | None | -2 | 7 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| DB00346 | 7131 | 71 | None | -2 | 7 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| 44431560 | 95939 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL236621 | 95939 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 44433348 | 97038 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL238401 | 97038 | 0 | None | -8 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | ||
| 44431560 | 95939 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL236621 | 95939 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| 11857863 | 92458 | 0 | None | 2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228658 | 92458 | 0 | None | 2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 1531 | 9046 | 69 | None | -3 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 3869 | 9046 | 69 | None | -3 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 7207 | 9046 | 69 | None | -3 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| CHEMBL429 | 9046 | 69 | None | -3 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| DB00598 | 9046 | 69 | None | -3 | 16 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 49865599 | 22792 | 0 | None | -28 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 340 | 8 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223615 | 22792 | 0 | None | -28 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 340 | 8 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 11303180 | 205005 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL57540 | 205005 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11303180 | 205005 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL57540 | 205005 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 76323010 | 113025 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261606 | 113025 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL3138929 | 113025 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 16721032 | 98963 | 0 | None | -26 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242507 | 98963 | 0 | None | -26 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 10790988 | 122878 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 1 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL335731 | 122878 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 1 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 10621592 | 91346 | 0 | None | -4 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153559 | 91346 | 0 | None | -4 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220898 | 91346 | 0 | None | -4 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 4011 | 89183 | 49 | None | -125 | 24 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 89183 | 49 | None | -125 | 24 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 127025258 | 144472 | 0 | None | -173 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 415 | 7 | 1 | 3 | 4.8 | Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758741 | 144472 | 0 | None | -173 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 415 | 7 | 1 | 3 | 4.8 | Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C | 10.1016/j.bmcl.2015.12.068 | ||
| 9844022 | 129839 | 0 | None | -32 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 401 | 6 | 1 | 2 | 5.6 | c1ccc(C2CCN(CCCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609358 | 129839 | 0 | None | -32 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 401 | 6 | 1 | 2 | 5.6 | c1ccc(C2CCN(CCCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2015.07.046 | ||
| 12134991 | 212492 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL82480 | 212492 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 11486511 | 108361 | 0 | None | -691 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL298595 | 108361 | 0 | None | -691 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11994671 | 18601 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182138 | 18601 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214506 | 18601 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 2162 | 48288 | 100 | None | -3 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL1491 | 48288 | 100 | None | -3 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | ||
| 11486511 | 108361 | 0 | None | -691 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL298595 | 108361 | 0 | None | -691 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 21509921 | 111235 | 0 | None | -234 | 24 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 111235 | 0 | None | -234 | 24 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 21509921 | 111235 | 0 | None | -234 | 24 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 111235 | 0 | None | -234 | 24 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 14004033 | 56006 | 5 | None | -2 | 2 | Bovine | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| CHEMBL156283 | 56006 | 5 | None | -2 | 2 | Bovine | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| 13151 | 7768 | 0 | None | -151 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | ||
| 9930376 | 7768 | 0 | None | -151 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609360 | 7768 | 0 | None | -151 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | ||
| 71508686 | 93828 | 0 | None | 10 | 2 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 0 | 4 | 4.9 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccncc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325931 | 93828 | 0 | None | 10 | 2 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 368 | 3 | 0 | 4 | 4.9 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccncc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 44288995 | 169663 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL417350 | 169663 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 10962489 | 17962 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL1178679 | 17962 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL37212 | 17962 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| 10363912 | 13310 | 0 | None | -36 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1082862 | 13310 | 0 | None | -36 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL286003 | 13310 | 0 | None | -36 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 155532835 | 183233 | 0 | None | -31 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4467585 | 183233 | 0 | None | -31 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4596417 | 183233 | 0 | None | -31 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 10386062 | 213551 | 0 | None | -19 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 6 | 0 | 4 | 3.3 | FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| CHEMBL90165 | 213551 | 0 | None | -19 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 6 | 0 | 4 | 3.3 | FC(F)(F)c1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| 9817327 | 129834 | 0 | None | -50 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 285 | 5 | 1 | 2 | 3.3 | CN(C)CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609353 | 129834 | 0 | None | -50 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 285 | 5 | 1 | 2 | 3.3 | CN(C)CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | ||
| 44289089 | 171364 | 0 | None | 3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL42156 | 171364 | 0 | None | 3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 94459 | 71048 | 127 | None | -64 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
| CHEMBL18094 | 71048 | 127 | None | -64 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
| 94459 | 71048 | 127 | None | -64 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1ccc(N2CCNCC2)nc1 | 10.1021/jm00375a017 | ||
| CHEMBL18094 | 71048 | 127 | None | -64 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1ccc(N2CCNCC2)nc1 | 10.1021/jm00375a017 | ||
| 14004033 | 56006 | 5 | None | -2 | 2 | Bovine | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| CHEMBL156283 | 56006 | 5 | None | -2 | 2 | Bovine | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 177 | 0 | 1 | 2 | 1.5 | c1[nH]nc2c1CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| 165413025 | 197146 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 6 | 2 | 6 | 1.3 | NC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1 | 10.1021/acs.jmedchem.2c01192 | ||
| CHEMBL5177166 | 197146 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 6 | 2 | 6 | 1.3 | NC(CCOc1ccc(S(N)(=O)=O)cc1)C1COc2ccccc2O1 | 10.1021/acs.jmedchem.2c01192 | ||
| 2291 | 9958 | 58 | None | -446 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 2561 | 9958 | 58 | None | -446 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 4932 | 9958 | 58 | None | -446 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| CHEMBL631 | 9958 | 58 | None | -446 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| DB01182 | 9958 | 58 | None | -446 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 44431590 | 94755 | 0 | None | -13 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234232 | 94755 | 0 | None | -13 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44289346 | 174824 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 466 | 8 | 1 | 4 | 4.9 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL432302 | 174824 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 466 | 8 | 1 | 4 | 4.9 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 135398745 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 11281005 | 18615 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL1182191 | 18615 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL218079 | 18615 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1016/j.ejmech.2020.112419 | ||
| 15254720 | 68075 | 0 | None | -204 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767136 | 68075 | 0 | None | -204 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 24803483 | 68106 | 0 | None | -63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 654 | 15 | 0 | 6 | 8.2 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767167 | 68106 | 0 | None | -63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 654 | 15 | 0 | 6 | 8.2 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 132266 | 8061 | 12 | None | -28 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| 486 | 8061 | 12 | None | -28 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| CHEMBL423294 | 8061 | 12 | None | -28 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | ||
| 126225 | 101751 | 5 | None | -13 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | ||
| CHEMBL25467 | 101751 | 5 | None | -13 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | ||
| 11281005 | 18615 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1182191 | 18615 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL218079 | 18615 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 76326562 | 112983 | 0 | None | -18 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261608 | 112983 | 0 | None | -18 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL3138761 | 112983 | 0 | None | -18 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 44428847 | 99068 | 0 | None | -18 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242723 | 99068 | 0 | None | -18 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 12841596 | 124238 | 20 | None | -3 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL2448004 | 124238 | 20 | None | -3 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL339883 | 124238 | 20 | None | -3 | 2 | Bovine | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 237 | 1 | 1 | 5 | 0.8 | Clc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2004.11.032 | ||
| 134987 | 193460 | 47 | None | -309 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 181 | 1 | 1 | 3 | 0.6 | Fc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL48833 | 193460 | 47 | None | -309 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 181 | 1 | 1 | 3 | 0.6 | Fc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 3386873 | 71349 | 4 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 2 | 3 | 3.9 | N=C(CC(O)COc1ccccc1-c1ccccc1)N1CCCCC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL181583 | 71349 | 4 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 2 | 3 | 3.9 | N=C(CC(O)COc1ccccc1-c1ccccc1)N1CCCCC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 44271616 | 66450 | 0 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 188 | 1 | 0 | 2 | 2.1 | Cc1cccnc1C1=CCN(C)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL17223 | 66450 | 0 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 188 | 1 | 0 | 2 | 2.1 | Cc1cccnc1C1=CCN(C)CC1 | 10.1021/jm00375a017 | ||
| 15357024 | 67453 | 3 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 174 | 1 | 0 | 2 | 1.8 | CN1CC=C(c2ccccn2)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL17605 | 67453 | 3 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 174 | 1 | 0 | 2 | 1.8 | CN1CC=C(c2ccccn2)CC1 | 10.1021/jm00375a017 | ||
| 3020566 | 67850 | 14 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 176 | 1 | 0 | 2 | 1.9 | CN1CCC(c2ccccn2)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL17648 | 67850 | 14 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 176 | 1 | 0 | 2 | 1.9 | CN1CCC(c2ccccn2)CC1 | 10.1021/jm00375a017 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | ||
| 9950711 | 115983 | 0 | None | 5 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL321644 | 115983 | 0 | None | 5 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 52937527 | 68077 | 0 | None | -1584 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 5 | 2.8 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767138 | 68077 | 0 | None | -1584 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 5 | 2.8 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | ||
| 119204 | 191048 | 40 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | ||
| CHEMBL483825 | 191048 | 40 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | ||
| 10337773 | 108362 | 0 | None | -63 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| CHEMBL298612 | 108362 | 0 | None | -63 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| 11800278 | 45965 | 0 | None | 15 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 527 | 10 | 3 | 8 | 2.4 | CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL146983 | 45965 | 0 | None | 15 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 527 | 10 | 3 | 8 | 2.4 | CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 1599 | 9120 | 50 | None | -3019 | 16 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 9120 | 50 | None | -3019 | 16 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 9120 | 50 | None | -3019 | 16 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 9120 | 50 | None | -3019 | 16 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 9120 | 50 | None | -3019 | 16 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 1028 | 7079 | 71 | None | -47 | 30 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 7079 | 71 | None | -47 | 30 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 7079 | 71 | None | -47 | 30 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 7079 | 71 | None | -47 | 30 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 7079 | 71 | None | -47 | 30 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 7079 | 71 | None | -47 | 30 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 2435 | 7509 | 100 | None | -436 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 395 | 7509 | 100 | None | -436 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 520 | 7509 | 100 | None | -436 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 5386 | 7509 | 100 | None | -436 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| CHEMBL844 | 7509 | 100 | None | -436 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| DB00484 | 7509 | 100 | None | -436 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | ||
| 118717461 | 121921 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343983 | 121921 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 118717461 | 121921 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343983 | 121921 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 56852956 | 118820 | 1 | None | -66 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289656 | 118820 | 1 | None | -66 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 137640201 | 163740 | 2 | None | -204 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 163740 | 2 | None | -204 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 71521479 | 93034 | 0 | None | -831 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| CHEMBL2312536 | 93034 | 0 | None | -831 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| 11164948 | 44517 | 0 | None | -8 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
| CHEMBL145793 | 44517 | 0 | None | -8 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
| 76318763 | 91599 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccoc1)C3 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234449 | 91599 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccoc1)C3 | 10.1007/s00044-010-9379-1 | ||
| 56852956 | 118820 | 1 | None | -66 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| CHEMBL3289656 | 118820 | 1 | None | -66 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 5 | 0 | 6 | 2.8 | c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1 | 10.1016/j.bmc.2014.04.026 | ||
| 242 | 7258 | 124 | None | -14 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 34 | 7258 | 124 | None | -14 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 60795 | 7258 | 124 | None | -14 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| CHEMBL1112 | 7258 | 124 | None | -14 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| DB01238 | 7258 | 124 | None | -14 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | nan | ||
| 3584 | 10549 | 64 | None | -3 | 14 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 5401 | 10549 | 64 | None | -3 | 14 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 7302 | 10549 | 64 | None | -3 | 14 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| CHEMBL611 | 10549 | 64 | None | -3 | 14 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| DB01162 | 10549 | 64 | None | -3 | 14 | Bovine | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 180707 | 121912 | 2 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343975 | 121912 | 2 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 135398745 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 9688 | 112 | None | -13 | 65 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 16041629 | 102221 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL257097 | 102221 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 180707 | 121912 | 2 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343975 | 121912 | 2 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 9883506 | 77339 | 0 | None | -2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL194849 | 77339 | 0 | None | -2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
| 46934641 | 23450 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242633 | 23450 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 56946474 | 78291 | 0 | None | -32 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
| CHEMBL1946779 | 78291 | 0 | None | -32 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
| CHEMBL1962769 | 78291 | 0 | None | -32 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | ||
| 44207909 | 23471 | 3 | None | 2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242923 | 23471 | 3 | None | 2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44538690 | 116628 | 0 | None | -295 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.9 | O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1 | 10.1021/jm401958n | ||
| CHEMBL3233432 | 116628 | 0 | None | -295 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 3.9 | O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCO3)c1ccc(F)cc1 | 10.1021/jm401958n | ||
| CHEMBL4795065 | 220831 | 25 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1 | 10.6019/CHEMBL4800730 | ||||
| 10219 | 195575 | 37 | None | -467 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL493439 | 195575 | 37 | None | -467 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL50588 | 195575 | 37 | None | -467 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL4795065 | 220831 | 25 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1 | 10.6019/CHEMBL4800730 | ||||
| 12840734 | 107706 | 3 | None | -630 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL293968 | 107706 | 3 | None | -630 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 134133829 | 150603 | 0 | None | -120 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL3901382 | 150603 | 0 | None | -120 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | ||
| 10221830 | 16193 | 0 | None | 1 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111685 | 16193 | 0 | None | 1 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 11811395 | 211480 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74071 | 211480 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 12840734 | 107706 | 3 | None | -630 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL293968 | 107706 | 3 | None | -630 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 10721586 | 126499 | 0 | None | 141 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 559 | 10 | 3 | 7 | 3.4 | CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL347522 | 126499 | 0 | None | 141 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 559 | 10 | 3 | 7 | 3.4 | CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 11198145 | 16587 | 2 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL113830 | 16587 | 2 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 44289047 | 107159 | 0 | None | 25 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL289916 | 107159 | 0 | None | 25 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 9822705 | 107464 | 0 | None | -19 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
| CHEMBL292366 | 107464 | 0 | None | -19 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
| 25131876 | 92967 | 0 | None | -41 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL2312227 | 92967 | 0 | None | -41 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
| 76308474 | 113011 | 0 | None | -31 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261607 | 113011 | 0 | None | -31 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
| CHEMBL3138856 | 113011 | 0 | None | -31 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | ||
| 44428846 | 98964 | 0 | None | -31 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242508 | 98964 | 0 | None | -31 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
| 25181488 | 194161 | 0 | None | -33 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
| CHEMBL493486 | 194161 | 0 | None | -33 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
| 25131876 | 92967 | 0 | None | -41 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| CHEMBL2312227 | 92967 | 0 | None | -41 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| 10427137 | 42824 | 4 | None | -1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 2 | 5.3 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL144362 | 42824 | 4 | None | -1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 336 | 2 | 0 | 2 | 5.3 | Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 11711943 | 22872 | 0 | None | -28 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.4 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223858 | 22872 | 0 | None | -28 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.4 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 71062646 | 156322 | 0 | None | -4466 | 13 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
| CHEMBL3946661 | 156322 | 0 | None | -4466 | 13 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | ||
| 9796525 | 16179 | 0 | None | 5 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111584 | 16179 | 0 | None | 5 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | ||
| 9796525 | 16179 | 0 | None | 5 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | ||
| CHEMBL111584 | 16179 | 0 | None | 5 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | ||
| 10763305 | 113739 | 0 | None | -11 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 5 | 0 | 4 | 3.3 | FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| CHEMBL314997 | 113739 | 0 | None | -11 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 5 | 0 | 4 | 3.3 | FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| 18738380 | 18713 | 0 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL11828 | 18713 | 0 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 11857638 | 148933 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL388361 | 148933 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857638 | 148933 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL388361 | 148933 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 1353 | 8692 | 93 | None | -10 | 85 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 8692 | 93 | None | -10 | 85 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 8692 | 93 | None | -10 | 85 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 8692 | 93 | None | -10 | 85 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 44460477 | 212186 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 3.9 | O=C1CCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL80109 | 212186 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 3.9 | O=C1CCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| 145987771 | 173868 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 431 | 6 | 1 | 2 | 5.9 | Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1 | 10.1016/j.ejmech.2017.12.063 | ||
| CHEMBL4289783 | 173868 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 431 | 6 | 1 | 2 | 5.9 | Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1 | 10.1016/j.ejmech.2017.12.063 | ||
| 44288740 | 108132 | 0 | None | 29 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL296965 | 108132 | 0 | None | 29 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 53328505 | 70168 | 0 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796039 | 70168 | 0 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 76322412 | 91597 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CO[C@H](c3ccccc3)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234447 | 91597 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2CO[C@H](c3ccccc3)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 14004037 | 60545 | 2 | None | -8 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| CHEMBL160388 | 60545 | 2 | None | -8 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 505 | 9632 | 67 | None | -57 | 26 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 2435 | 7509 | 100 | None | -21 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 395 | 7509 | 100 | None | -21 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 520 | 7509 | 100 | None | -21 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 5386 | 7509 | 100 | None | -21 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL844 | 7509 | 100 | None | -21 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| DB00484 | 7509 | 100 | None | -21 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | ||
| 14004037 | 60545 | 2 | None | -8 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| CHEMBL160388 | 60545 | 2 | None | -8 | 2 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 209 | 0 | 1 | 4 | 1.8 | Nc1nc2c(s1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| 127027076 | 144465 | 0 | None | -257 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 7 | 1 | 3 | 5.2 | O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758711 | 144465 | 0 | None | -257 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 7 | 1 | 3 | 5.2 | O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 2777786 | 181756 | 82 | None | -29 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL45663 | 181756 | 82 | None | -29 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.5 | FC(F)(F)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 73213196 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
| CHEMBL3104093 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | ||
| 73213196 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 11282574 | 44506 | 0 | None | -38 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | ||
| CHEMBL145785 | 44506 | 0 | None | -38 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | ||
| 76319344 | 92112 | 0 | None | 29 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261351 | 92112 | 0 | None | 29 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 73213196 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 155552821 | 183462 | 0 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4544457 | 183462 | 0 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4598345 | 183462 | 0 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 92766 | 113319 | 35 | None | 1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL31410 | 113319 | 35 | None | 1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1016/j.bmcl.2004.11.032 | ||
| 12909385 | 67203 | 1 | None | 7 | 2 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 276 | 0 | 0 | 2 | 4.0 | CN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL175154 | 67203 | 1 | None | 7 | 2 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 276 | 0 | 0 | 2 | 4.0 | CN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 11303180 | 205005 | 0 | None | -9 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL57540 | 205005 | 0 | None | -9 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 122179431 | 128221 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| CHEMBL3582272 | 128221 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | ||
| 11384664 | 89887 | 0 | None | -35 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 421 | 7 | 1 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL218203 | 89887 | 0 | None | -35 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 421 | 7 | 1 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 127026123 | 144489 | 0 | None | -41 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 401 | 7 | 1 | 3 | 4.5 | Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758881 | 144489 | 0 | None | -41 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 401 | 7 | 1 | 3 | 4.5 | Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | ||
| 9845181 | 214940 | 3 | None | -1445 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL98241 | 214940 | 3 | None | -1445 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/j.bmcl.2004.11.032 | ||
| 10643994 | 84031 | 0 | None | -2 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL2079655 | 84031 | 0 | None | -2 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 146025727 | 178464 | 0 | None | -107 | 27 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4466483 | 178464 | 0 | None | -107 | 27 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
| 9845181 | 214940 | 3 | None | -1445 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | ||
| CHEMBL98241 | 214940 | 3 | None | -1445 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | ||
| 11191047 | 208596 | 0 | None | -8 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL60699 | 208596 | 0 | None | -8 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 11486511 | 108361 | 0 | None | -870 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL298595 | 108361 | 0 | None | -870 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 11346205 | 16048 | 0 | None | -8 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 3 | 5 | 0.8 | CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 | 10.1021/jm030551a | ||
| CHEMBL110852 | 16048 | 0 | None | -8 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 3 | 5 | 0.8 | CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 | 10.1021/jm030551a | ||
| 44460522 | 212166 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 7 | 0 | 7 | 3.6 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL79990 | 212166 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 7 | 0 | 7 | 3.6 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 136680385 | 214429 | 0 | None | 85 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328824 | 214429 | 0 | None | 85 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95253 | 214429 | 0 | None | 85 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44213782 | 17312 | 0 | None | 309 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| CHEMBL1169493 | 17312 | 0 | None | 309 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| 44431611 | 94356 | 0 | None | 6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233582 | 94356 | 0 | None | 6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857639 | 150662 | 1 | None | 2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL390184 | 150662 | 1 | None | 2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| 9848303 | 118357 | 0 | None | 1 | 10 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL328187 | 118357 | 0 | None | 1 | 10 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | ||
| 9848303 | 118357 | 0 | None | 1 | 10 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | ||
| CHEMBL328187 | 118357 | 0 | None | 1 | 10 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | ||
| 10971791 | 215097 | 0 | None | -7 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL99142 | 215097 | 0 | None | -7 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 118716718 | 121790 | 0 | None | -3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342871 | 121790 | 0 | None | -3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44447002 | 101500 | 0 | None | -301 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 4.2 | CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL253022 | 101500 | 0 | None | -301 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 4.2 | CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 9960311 | 210643 | 0 | None | 25 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL68699 | 210643 | 0 | None | 25 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 19085839 | 212561 | 0 | None | 97 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL83041 | 212561 | 0 | None | 97 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 4188516 | 107154 | 8 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 1.6 | COc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| CHEMBL289873 | 107154 | 8 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 1.6 | COc1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| 9891166 | 40386 | 0 | None | -7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL14213 | 40386 | 0 | None | -7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 16041628 | 162129 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL403280 | 162129 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 10841387 | 106394 | 0 | None | 91 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| CHEMBL284103 | 106394 | 0 | None | 91 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| 10624665 | 107108 | 0 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL289437 | 107108 | 0 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10416624 | 116427 | 0 | None | 263 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | ||
| 136806219 | 116427 | 0 | None | 263 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL322405 | 116427 | 0 | None | 263 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | ||
| 2585 | 7590 | 103 | None | -5 | 22 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 7590 | 103 | None | -5 | 22 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 7590 | 103 | None | -5 | 22 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 7590 | 103 | None | -5 | 22 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 7590 | 103 | None | -5 | 22 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | ||
| 10841387 | 106394 | 0 | None | 91 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| CHEMBL284103 | 106394 | 0 | None | 91 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| 52947579 | 23822 | 0 | None | -17 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254582 | 23822 | 0 | None | -17 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 52945803 | 23838 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254742 | 23838 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 52941624 | 23864 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254915 | 23864 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 10693026 | 112730 | 0 | None | 5 | 2 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL312935 | 112730 | 0 | None | 5 | 2 | Bovine | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 25032525 | 101358 | 0 | None | -9 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.8 | CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL252030 | 101358 | 0 | None | -9 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.8 | CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 10769037 | 43982 | 0 | None | 70 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL145332 | 43982 | 0 | None | 70 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 1043 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 149 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 3251 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 8223 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL1982133 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL442 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00696 | 8363 | 14 | None | -35 | 29 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 15853467 | 214913 | 0 | None | 29 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL98063 | 214913 | 0 | None | 29 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 11857864 | 92459 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228659 | 92459 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 10553701 | 107072 | 0 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL289166 | 107072 | 0 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 9960497 | 123853 | 0 | None | 25 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| CHEMBL3392246 | 123853 | 0 | None | 25 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | ||
| 44447015 | 161020 | 0 | None | -3 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 483 | 6 | 1 | 6 | 4.5 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL398619 | 161020 | 0 | None | -3 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 483 | 6 | 1 | 6 | 4.5 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1cccnc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 10071710 | 90907 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL220781 | 90907 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 10071710 | 90907 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL220781 | 90907 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 45268939 | 203439 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL564481 | 203439 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 90645603 | 119213 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298021 | 119213 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 24894147 | 202660 | 0 | None | -6 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| CHEMBL558890 | 202660 | 0 | None | -6 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| 11465618 | 109175 | 23 | None | -12 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL3039528 | 109175 | 23 | None | -12 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| CHEMBL5191141 | 109175 | 23 | None | -12 | 19 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | ||
| 44289034 | 172732 | 0 | None | 199 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL42514 | 172732 | 0 | None | 199 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 2726 | 7706 | 68 | None | -2 | 72 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 7706 | 68 | None | -2 | 72 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 7706 | 68 | None | -2 | 72 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 7706 | 68 | None | -2 | 72 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 7706 | 68 | None | -2 | 72 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 44420431 | 91512 | 0 | None | -4 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL222896 | 91512 | 0 | None | -4 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 76330229 | 113012 | 0 | None | -11 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL2261605 | 113012 | 0 | None | -11 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| CHEMBL3138857 | 113012 | 0 | None | -11 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | ||
| 44428845 | 149140 | 0 | None | -11 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL388884 | 149140 | 0 | None | -11 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 11638677 | 91364 | 0 | None | -138 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL2153423 | 91364 | 0 | None | -138 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL2220978 | 91364 | 0 | None | -138 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 491 | 6980 | 9 | None | -44 | 12 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891167 | 6980 | 9 | None | -44 | 12 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13856 | 6980 | 9 | None | -44 | 12 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 10816832 | 128282 | 0 | None | 234 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL358313 | 128282 | 0 | None | 234 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 44431551 | 93985 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL232779 | 93985 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431620 | 94573 | 0 | None | 4 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233790 | 94573 | 0 | None | 4 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 56837635 | 76083 | 0 | None | -11 | 5 | Pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1129 | 44 | 2 | 17 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928132 | 76083 | 0 | None | -11 | 5 | Pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1129 | 44 | 2 | 17 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 57398875 | 76089 | 0 | None | 1 | 5 | Pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1005 | 30 | 2 | 17 | 4.7 | COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928138 | 76089 | 0 | None | 1 | 5 | Pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1005 | 30 | 2 | 17 | 4.7 | COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 11154198 | 208393 | 0 | None | -6 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL60583 | 208393 | 0 | None | -6 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 11801562 | 92059 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 3.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260362 | 92059 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 3.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 90645604 | 119214 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298022 | 119214 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 10582623 | 108545 | 0 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL299907 | 108545 | 0 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL41844 | 170011 | 0 | None | 194 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 4.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 10745305 | 43910 | 0 | None | 120 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL145278 | 43910 | 0 | None | 120 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 102 | 10899 | 48 | None | -85 | 49 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
| 3659 | 10899 | 48 | None | -85 | 49 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
| 8969 | 10899 | 48 | None | -85 | 49 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
| CHEMBL15245 | 10899 | 48 | None | -85 | 49 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
| DB01392 | 10899 | 48 | None | -85 | 49 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | ||
| 16041092 | 102155 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256804 | 102155 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 136048765 | 70110 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 502 | 9 | 3 | 8 | 4.9 | COc1ccccc1N1CCN(CCCNc2cc(O)nc(Nc3c(Cl)cccc3Cl)n2)CC1 | 10.1021/jm0491804 | ||
| CHEMBL179401 | 70110 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 502 | 9 | 3 | 8 | 4.9 | COc1ccccc1N1CCN(CCCNc2cc(O)nc(Nc3c(Cl)cccc3Cl)n2)CC1 | 10.1021/jm0491804 | ||
| CHEMBL41844 | 170011 | 0 | None | 194 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 4.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 44447007 | 161576 | 0 | None | -4 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 6 | 1 | 5 | 4.4 | CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL400236 | 161576 | 0 | None | -4 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 6 | 1 | 5 | 4.4 | CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 10817661 | 92061 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 12 | 3 | 10 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260364 | 92061 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 12 | 3 | 10 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL347501 | 126494 | 0 | None | 436 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 12 | 3 | 10 | 3.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 44316098 | 175945 | 0 | None | 14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL440499 | 175945 | 0 | None | 14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| 1443 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 33625 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 501 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| CHEMBL279516 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| DB08950 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | ||
| 10555618 | 92060 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 604 | 11 | 2 | 9 | 4.1 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260363 | 92060 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 604 | 11 | 2 | 9 | 4.1 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL346649 | 126407 | 0 | None | 104 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 604 | 11 | 2 | 9 | 4.9 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 2284 | 9956 | 33 | None | -1 | 29 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 9956 | 33 | None | -1 | 29 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 9956 | 33 | None | -1 | 29 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 9956 | 33 | None | -1 | 29 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 9956 | 33 | None | -1 | 29 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 10526419 | 205827 | 0 | None | 7 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | ||
| CHEMBL58612 | 205827 | 0 | None | 7 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | ||
| 44328654 | 113962 | 0 | None | 47 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL316495 | 113962 | 0 | None | 47 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 136806212 | 214511 | 0 | None | 47 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328639 | 214511 | 0 | None | 47 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95736 | 214511 | 0 | None | 47 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 17753379 | 94838 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234607 | 94838 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857711 | 92401 | 0 | None | 8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228332 | 92401 | 0 | None | 8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| 12134986 | 171173 | 0 | None | 70 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL421324 | 171173 | 0 | None | 70 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| 71817549 | 109357 | 0 | None | -4 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3040803 | 109357 | 0 | None | -4 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3216590 | 109357 | 0 | None | -4 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| 2894 | 214850 | 6 | None | -8 | 6 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| CHEMBL97698 | 214850 | 6 | None | -8 | 6 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| 90645602 | 119212 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298020 | 119212 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 44431616 | 94852 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234650 | 94852 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| 44431184 | 99625 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243866 | 99625 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 10310103 | 114089 | 0 | None | 1 | 9 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
| CHEMBL317333 | 114089 | 0 | None | 1 | 9 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | ||
| 10602180 | 175760 | 0 | None | 5 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL43909 | 175760 | 0 | None | 5 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10326069 | 46070 | 1 | None | 23 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL147077 | 46070 | 1 | None | 23 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 44447003 | 161575 | 0 | None | -8 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 4.6 | CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL400235 | 161575 | 0 | None | -8 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 4.6 | CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL5275284 | 201433 | 0 | None | -5 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 3.9 | CC(C)C(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315872 | 201433 | 0 | None | -5 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 3.9 | CC(C)C(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 10326069 | 46070 | 1 | None | 23 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL147077 | 46070 | 1 | None | 23 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 1443 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
| 33625 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
| 501 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
| CHEMBL279516 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
| DB08950 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | ||
| 9817640 | 106106 | 0 | None | 9 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | ||
| CHEMBL282214 | 106106 | 0 | None | 9 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | ||
| 44298644 | 169906 | 0 | None | 31 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL417758 | 169906 | 0 | None | 31 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 12909387 | 69411 | 0 | None | 33 | 2 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 301 | 0 | 0 | 3 | 3.8 | CN1CCC(=C2c3cc(C#N)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL178376 | 69411 | 0 | None | 33 | 2 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 301 | 0 | 0 | 3 | 3.8 | CN1CCC(=C2c3cc(C#N)ccc3C=Cn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 102012413 | 85431 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| CHEMBL2112365 | 85431 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | ||
| 240 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| 2769 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| 44279790 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| 660 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| CHEMBL1729 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| CHEMBL560739 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| DB00604 | 7731 | 43 | None | -4 | 25 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1021/jm00086a019 | ||
| 4038180 | 6992 | 14 | None | -2 | 8 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 480 | 6992 | 14 | None | -2 | 8 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL109783 | 6992 | 14 | None | -2 | 8 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 44420423 | 90780 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL220717 | 90780 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 127040157 | 143705 | 0 | None | -10 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| CHEMBL3739897 | 143705 | 0 | None | -10 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| CHEMBL3742490 | 143705 | 0 | None | -10 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| 155563002 | 183447 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4570387 | 183447 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4598207 | 183447 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 118716709 | 121781 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342862 | 121781 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44388493 | 69879 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 8 | 0 | 6 | 4.3 | Clc1ccc(C2(Cn3ccnc3)OCC(CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1 | 10.1021/jm0491804 | ||
| CHEMBL178921 | 69879 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 8 | 0 | 6 | 4.3 | Clc1ccc(C2(Cn3ccnc3)OCC(CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1 | 10.1021/jm0491804 | ||
| 46882086 | 12588 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cc(OC)cc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1078954 | 12588 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cc(OC)cc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | ||
| 9796667 | 116243 | 0 | None | 9 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL322042 | 116243 | 0 | None | 9 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 11857862 | 92452 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL228607 | 92452 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857862 | 92452 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228607 | 92452 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 44331174 | 10941 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL100052 | 10941 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL5269671 | 201379 | 0 | None | -44 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 4.0 | CCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315170 | 201379 | 0 | None | -44 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 4.0 | CCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5284242 | 201394 | 0 | None | -56 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 11 | 0 | 6 | 4.0 | COCCCC(=O)N(C)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315342 | 201394 | 0 | None | -56 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 11 | 0 | 6 | 4.0 | COCCCC(=O)N(C)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 9981635 | 43684 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | ||
| CHEMBL145098 | 43684 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | ||
| CHEMBL2112853 | 43684 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | ||
| 24803797 | 67854 | 0 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 626 | 11 | 0 | 6 | 7.6 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| CHEMBL1765111 | 67854 | 0 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 626 | 11 | 0 | 6 | 7.6 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1 | 10.1021/jm1013874 | ||
| 24803482 | 68107 | 0 | None | -125 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767168 | 68107 | 0 | None | -125 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 71817861 | 109183 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3039699 | 109183 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| CHEMBL3217244 | 109183 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | ||
| 3826471 | 104254 | 13 | None | -17 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 296 | 5 | 0 | 3 | 3.1 | COc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL27021 | 104254 | 13 | None | -17 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 296 | 5 | 0 | 3 | 3.1 | COc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 702235 | 59986 | 97 | None | -7 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL15988 | 59986 | 97 | None | -7 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL2011564 | 59986 | 97 | None | -7 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| 10397358 | 181766 | 44 | None | -70 | 2 | Bovine | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 178 | 1 | 2 | 4 | 0.1 | Nc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL45665 | 181766 | 44 | None | -70 | 2 | Bovine | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 178 | 1 | 2 | 4 | 0.1 | Nc1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 132060812 | 168815 | 0 | None | -831 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4160064 | 168815 | 0 | None | -831 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| 10287924 | 116610 | 0 | None | -95 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 388 | 4 | 0 | 5 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12 | 10.1021/jm401958n | ||
| CHEMBL3233411 | 116610 | 0 | None | -95 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 388 | 4 | 0 | 5 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4ccccc34)CC[C@@H]12 | 10.1021/jm401958n | ||
| 155770281 | 184526 | 0 | None | -3 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| CHEMBL4642592 | 184526 | 0 | None | -3 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | ||
| 118717459 | 121919 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343981 | 121919 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 10579368 | 112781 | 0 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL313251 | 112781 | 0 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 10579368 | 112781 | 0 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL313251 | 112781 | 0 | None | -1 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 52937018 | 68074 | 0 | None | -31 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.6 | CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767135 | 68074 | 0 | None | -31 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.6 | CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 52937223 | 68096 | 23 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 4.1 | CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767157 | 68096 | 23 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 4.1 | CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 24803316 | 68101 | 0 | None | -794 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 15 | 1 | 6 | 6.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767162 | 68101 | 0 | None | -794 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 600 | 15 | 1 | 6 | 6.9 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 250 | 10159 | 8 | None | -8912 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| 5311416 | 10159 | 8 | None | -8912 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| CHEMBL69733 | 10159 | 8 | None | -8912 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| 118717459 | 121919 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343981 | 121919 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 2286 | 9957 | 51 | None | -10 | 30 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 9957 | 51 | None | -10 | 30 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 9957 | 51 | None | -10 | 30 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 9957 | 51 | None | -10 | 30 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 9957 | 51 | None | -10 | 30 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 10043148 | 213319 | 0 | None | -26 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 6 | 0 | 5 | 1.9 | COc1ccccc1N1CCN(CCCN2CC3CCCN3C2)CC1 | 10.1021/jm970216k | ||
| CHEMBL88594 | 213319 | 0 | None | -26 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 6 | 0 | 5 | 1.9 | COc1ccccc1N1CCN(CCCN2CC3CCCN3C2)CC1 | 10.1021/jm970216k | ||
| 11995036 | 18616 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1182196 | 18616 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL218732 | 18616 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 14004032 | 126612 | 2 | None | -1 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| CHEMBL348538 | 126612 | 2 | None | -1 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| 53328116 | 70158 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796029 | 70158 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 14004032 | 126612 | 2 | None | -1 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| CHEMBL348538 | 126612 | 2 | None | -1 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 188 | 0 | 0 | 2 | 2.2 | c1cnc2c(c1)CCN1CCCCC21 | 10.1021/jm00398a025 | ||
| 11732785 | 170499 | 0 | None | -6 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1 | 10.1021/jm0211220 | ||
| CHEMBL420510 | 170499 | 0 | None | -6 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc43)C2=O)CC1 | 10.1021/jm0211220 | ||
| 10020855 | 85598 | 0 | None | -165 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | ||
| CHEMBL2112778 | 85598 | 0 | None | -165 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | ||
| 16041265 | 102112 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256597 | 102112 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 49865600 | 22793 | 0 | None | -83 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.4 | Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223616 | 22793 | 0 | None | -83 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.4 | Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| 122295 | 16640 | 7 | None | 1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
| CHEMBL114166 | 16640 | 7 | None | 1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | ||
| 11140347 | 211312 | 1 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 211312 | 1 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 9824384 | 125565 | 1 | None | -177 | 8 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| CHEMBL342062 | 125565 | 1 | None | -177 | 8 | Bovine | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| 145963755 | 168813 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4160032 | 168813 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 10962489 | 17962 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1178679 | 17962 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL37212 | 17962 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 44417706 | 18607 | 0 | None | 5 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL1182152 | 18607 | 0 | None | 5 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| CHEMBL215188 | 18607 | 0 | None | 5 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1016/j.ejmech.2020.112419 | ||
| 10962489 | 17962 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL1178679 | 17962 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL37212 | 17962 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 404 | 8 | 0 | 3 | 4.5 | C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| 11049096 | 17968 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL1178700 | 17968 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL37962 | 17968 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| 9822814 | 108726 | 0 | None | -346 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL301224 | 108726 | 0 | None | -346 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 155567201 | 183007 | 0 | None | -20 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4588223 | 183007 | 0 | None | -20 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4594654 | 183007 | 0 | None | -20 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | ||
| 44417706 | 18607 | 0 | None | 5 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182152 | 18607 | 0 | None | 5 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL215188 | 18607 | 0 | None | 5 | 7 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| 9822814 | 108726 | 0 | None | -346 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL301224 | 108726 | 0 | None | -346 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 44435219 | 98567 | 0 | None | 6 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 2 | 0 | 2 | 6.2 | O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL241115 | 98567 | 0 | None | 6 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 2 | 0 | 2 | 6.2 | O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 9932835 | 107570 | 0 | None | -151 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL293111 | 107570 | 0 | None | -151 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 518 | 10384 | 1 | None | -234 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1016/j.bmcl.2004.11.032 | ||
| 9839317 | 10384 | 1 | None | -234 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL123138 | 10384 | 1 | None | -234 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1016/j.bmcl.2004.11.032 | ||
| 44271624 | 71549 | 3 | None | - | 1 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 192 | 1 | 0 | 2 | 1.9 | CN1CC=C(c2ncccc2F)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL18194 | 71549 | 3 | None | - | 1 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 192 | 1 | 0 | 2 | 1.9 | CN1CC=C(c2ncccc2F)CC1 | 10.1021/jm00375a017 | ||
| 518 | 10384 | 1 | None | -234 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
| 9839317 | 10384 | 1 | None | -234 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
| CHEMBL123138 | 10384 | 1 | None | -234 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | ||
| 20750645 | 109084 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 346 | 6 | 1 | 5 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL303485 | 109084 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 346 | 6 | 1 | 5 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 127035062 | 143229 | 0 | None | -11 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| CHEMBL3735756 | 143229 | 0 | None | -11 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | ||
| 44582675 | 196480 | 0 | None | -5 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL515472 | 196480 | 0 | None | -5 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 12840734 | 107706 | 3 | None | -794 | 5 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | ||
| CHEMBL293968 | 107706 | 3 | None | -794 | 5 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | ||
| 76318762 | 91590 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234440 | 91590 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| 25131193 | 92965 | 0 | None | -239 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL2312225 | 92965 | 0 | None | -239 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | ||
| 24894141 | 194188 | 0 | None | -30 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
| CHEMBL493697 | 194188 | 0 | None | -30 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | ||
| 25131193 | 92965 | 0 | None | -239 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| CHEMBL2312225 | 92965 | 0 | None | -239 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | ||
| 53328872 | 70177 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796048 | 70177 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 9906978 | 49485 | 2 | None | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| CHEMBL150161 | 49485 | 2 | None | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 4.0 | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| 16041451 | 104584 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL271913 | 104584 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 168270256 | 196846 | 0 | None | -8 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 415 | 3 | 0 | 3 | 3.7 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(c(Br)n4C)CC2N(C)C1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL5172469 | 196846 | 0 | None | -8 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 415 | 3 | 0 | 3 | 3.7 | CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(c(Br)n4C)CC2N(C)C1 | 10.1021/acs.jmedchem.2c00633 | ||
| 53328686 | 70174 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796045 | 70174 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 2337 | 10030 | 77 | None | -3 | 62 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 10030 | 77 | None | -3 | 62 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 10030 | 77 | None | -3 | 62 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 10030 | 77 | None | -3 | 62 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 10030 | 77 | None | -3 | 62 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 75201901 | 173204 | 19 | None | -251 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 173204 | 19 | None | -251 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 16756752 | 149369 | 0 | None | -4168 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 496 | 7 | 1 | 3 | 7.8 | CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)CC2)c1 | 10.1021/jm060383x | ||
| CHEMBL389129 | 149369 | 0 | None | -4168 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 496 | 7 | 1 | 3 | 7.8 | CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)CC2)c1 | 10.1021/jm060383x | ||
| 44460449 | 212653 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 426 | 7 | 0 | 6 | 3.7 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL83791 | 212653 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 426 | 7 | 0 | 6 | 3.7 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 53328115 | 70157 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796028 | 70157 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 132060776 | 169181 | 0 | None | -11 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4165863 | 169181 | 0 | None | -11 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| 44295193 | 108555 | 0 | None | 11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL299984 | 108555 | 0 | None | 11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 46881382 | 14096 | 0 | None | -275 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1086156 | 14096 | 0 | None | -275 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | ||
| 49832191 | 174318 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4218307 | 174318 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4300210 | 174318 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | ||
| 1346 | 6871 | 117 | None | -2884 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00110a014 | ||
| 280 | 6871 | 117 | None | -2884 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00110a014 | ||
| 9899402 | 6871 | 117 | None | -2884 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00110a014 | ||
| CHEMBL9666 | 6871 | 117 | None | -2884 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00110a014 | ||
| 155515301 | 176746 | 0 | None | -29 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL4441888 | 176746 | 0 | None | -29 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | ||
| 10092819 | 23545 | 0 | None | -34 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 8 | 1 | 5 | 3.8 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 | 10.1021/jm0211220 | ||
| CHEMBL124444 | 23545 | 0 | None | -34 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 8 | 1 | 5 | 3.8 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 | 10.1021/jm0211220 | ||
| 44431590 | 94754 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234231 | 94754 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431615 | 94813 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234476 | 94813 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | ||
| 13141187 | 137494 | 0 | None | 9 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 1 | 0 | 3 | 5.2 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL368475 | 137494 | 0 | None | 9 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 1 | 0 | 3 | 5.2 | CN1CCC(=C2c3cc(SC(F)(F)F)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 56649650 | 74633 | 0 | None | -41 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910141 | 74633 | 0 | None | -41 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 145946527 | 174349 | 0 | None | 5 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 10 | 0 | 4 | 3.6 | Cc1cccc(OCCOCCN2CCN(CCc3ccccc3)CC2)c1C | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4217761 | 174349 | 0 | None | 5 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 10 | 0 | 4 | 3.6 | Cc1cccc(OCCOCCN2CCN(CCc3ccccc3)CC2)c1C | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4300609 | 174349 | 0 | None | 5 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 382 | 10 | 0 | 4 | 3.6 | Cc1cccc(OCCOCCN2CCN(CCc3ccccc3)CC2)c1C | 10.1016/j.bmcl.2018.04.059 | ||
| 126225 | 101751 | 5 | None | -13 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | ||
| CHEMBL25467 | 101751 | 5 | None | -13 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | ||
| 126225 | 101751 | 5 | None | -13 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| CHEMBL25467 | 101751 | 5 | None | -13 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| 3038603 | 108642 | 8 | None | -48 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 1 | 0 | 1 | 5.4 | CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| CHEMBL300647 | 108642 | 8 | None | -48 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 1 | 0 | 1 | 5.4 | CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| 10790988 | 122878 | 0 | None | -3 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 483 | 8 | 1 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL335731 | 122878 | 0 | None | -3 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 483 | 8 | 1 | 10 | 2.0 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 76307950 | 91595 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234445 | 91595 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 10508016 | 213935 | 0 | None | 3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
| CHEMBL92322 | 213935 | 0 | None | 3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | ||
| 10508016 | 92066 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 6.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260369 | 92066 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 6.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1007/s00044-004-0120-9 | ||
| 76307950 | 91595 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234445 | 91595 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 9944409 | 14385 | 0 | None | 1 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL108804 | 14385 | 0 | None | 1 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 53328315 | 70164 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796035 | 70164 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 10617200 | 33206 | 0 | None | -6 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| CHEMBL135973 | 33206 | 0 | None | -6 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| 9944409 | 14385 | 0 | None | 1 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL108804 | 14385 | 0 | None | 1 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 71719108 | 92826 | 1 | None | -141 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | ||
| CHEMBL2307889 | 92826 | 1 | None | -141 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | ||
| 10619916 | 213517 | 0 | None | -12 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 382 | 5 | 0 | 4 | 3.0 | FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| CHEMBL89950 | 213517 | 0 | None | -12 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 382 | 5 | 0 | 4 | 3.0 | FC(F)(F)c1cccc(N2CCN(CCCN3CC4CCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| 9909389 | 172090 | 6 | None | -524 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 6 | 1 | 5 | 3.5 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL423361 | 172090 | 6 | None | -524 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 6 | 1 | 5 | 3.5 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1 | 10.1021/acs.jmedchem.2c00633 | ||
| 9809007 | 179343 | 8 | None | 134 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| CHEMBL448620 | 179343 | 8 | None | 134 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | ||
| 9976756 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
| CHEMBL1083181 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
| CHEMBL37883 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
| 9976756 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL1083181 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL37883 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 9976756 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1083181 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL37883 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
| 9976756 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| CHEMBL1083181 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| CHEMBL37883 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | ||
| 9976756 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
| CHEMBL1083181 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
| CHEMBL37883 | 13379 | 0 | None | -10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
| 44431173 | 99577 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| CHEMBL243690 | 99577 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | ||
| 12613159 | 194105 | 11 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL493054 | 194105 | 11 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 10084076 | 104692 | 0 | None | -20 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 262 | 0 | 1 | 2 | 2.8 | CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N | 10.1021/jm030030n | ||
| CHEMBL27251 | 104692 | 0 | None | -20 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 262 | 0 | 1 | 2 | 2.8 | CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N | 10.1021/jm030030n | ||
| 3024499 | 182252 | 73 | None | -20 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccc(N2CCNCC2)n1 | 10.1021/jm00366a007 | ||
| CHEMBL45773 | 182252 | 73 | None | -20 | 2 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cccc(N2CCNCC2)n1 | 10.1021/jm00366a007 | ||
| 11384983 | 204081 | 0 | None | -295 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | ||
| CHEMBL56869 | 204081 | 0 | None | -295 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | ||
| 10651027 | 127841 | 0 | None | 11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 588 | 11 | 3 | 7 | 3.7 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL356923 | 127841 | 0 | None | 11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 588 | 11 | 3 | 7 | 3.7 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 98358 | 126264 | 8 | None | 1 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| CHEMBL345349 | 126264 | 8 | None | 1 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| 44267884 | 22339 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12202 | 22339 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 44426405 | 92444 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228554 | 92444 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
| 60785 | 212672 | 48 | None | -309 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 5 | 0 | 4 | 3.7 | O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL83894 | 212672 | 48 | None | -309 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 5 | 0 | 4 | 3.7 | O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 133 | 9274 | 52 | None | -70 | 43 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 9274 | 52 | None | -70 | 43 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 9274 | 52 | None | -70 | 43 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 9274 | 52 | None | -70 | 43 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 9274 | 52 | None | -70 | 43 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 16040907 | 104659 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL272340 | 104659 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 71508684 | 93825 | 0 | None | 169 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 371 | 3 | 0 | 5 | 4.2 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cnn(C)c4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| CHEMBL2325929 | 93825 | 0 | None | 169 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 371 | 3 | 0 | 5 | 4.2 | CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cnn(C)c4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | ||
| 2470 | 10425 | 50 | None | -398 | 58 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 3300 | 10425 | 50 | None | -398 | 58 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 5265 | 10425 | 50 | None | -398 | 58 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 99 | 10425 | 50 | None | -398 | 58 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| CHEMBL267930 | 10425 | 50 | None | -398 | 58 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | ||
| 98358 | 126264 | 8 | None | 1 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| CHEMBL345349 | 126264 | 8 | None | 1 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 226 | 0 | 1 | 1 | 3.3 | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 | 10.1021/jm00398a025 | ||
| 44288469 | 168469 | 0 | None | 1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL41332 | 168469 | 0 | None | 1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 127024959 | 144579 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 405 | 7 | 1 | 3 | 4.3 | O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3759607 | 144579 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 405 | 7 | 1 | 3 | 4.3 | O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 155562125 | 183122 | 0 | None | -20 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4582160 | 183122 | 0 | None | -20 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595563 | 183122 | 0 | None | -20 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 56945165 | 78293 | 0 | None | -69 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | ||
| CHEMBL1946787 | 78293 | 0 | None | -69 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | ||
| CHEMBL1962770 | 78293 | 0 | None | -69 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | ||
| 44288492 | 170193 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL41959 | 170193 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | ||
| 3778834 | 108097 | 78 | None | -144 | 2 | Bovine | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 208 | 2 | 1 | 5 | 0.4 | O=[N+]([O-])c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL296653 | 108097 | 78 | None | -144 | 2 | Bovine | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 208 | 2 | 1 | 5 | 0.4 | O=[N+]([O-])c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 11338314 | 178149 | 0 | None | -676 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | ||
| CHEMBL446180 | 178149 | 0 | None | -676 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | ||
| 294234 | 109670 | 3 | None | -512 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL305928 | 109670 | 3 | None | -512 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 182 | 1 | 1 | 3 | 1.7 | C1CCCC(NC2=NCCO2)CC1 | 10.1016/0960-894X(94)85032-1 | ||
| 10640982 | 33207 | 0 | None | -467 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| CHEMBL135974 | 33207 | 0 | None | -467 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | ||
| 9796526 | 116661 | 0 | None | 6 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
| CHEMBL323440 | 116661 | 0 | None | 6 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | ||
| 71455083 | 88605 | 0 | None | -64 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| CHEMBL2164354 | 88605 | 0 | None | -64 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 389 | 6 | 0 | 3 | 4.8 | O=C(C1CCCCC1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| 3033538 | 8101 | 39 | None | -7 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 7155 | 8101 | 39 | None | -7 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 781 | 8101 | 39 | None | -7 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| CHEMBL1201216 | 8101 | 39 | None | -7 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| DB00298 | 8101 | 39 | None | -7 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | ||
| 13091268 | 84999 | 0 | None | -42 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| CHEMBL210578 | 84999 | 0 | None | -42 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 6 | 1 | 3 | 5.0 | O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.03.057 | ||
| 52937830 | 68093 | 0 | None | -125 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767154 | 68093 | 0 | None | -125 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 17747460 | 68103 | 12 | None | -158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767164 | 68103 | 12 | None | -158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | ||
| 56946579 | 78288 | 0 | None | -11 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | ||
| CHEMBL1946783 | 78288 | 0 | None | -11 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | ||
| CHEMBL1962755 | 78288 | 0 | None | -11 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | ||
| 52937729 | 68085 | 0 | None | -251 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767146 | 68085 | 0 | None | -251 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 4 | 0 | 4 | 3.7 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 11857791 | 175776 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL439197 | 175776 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| 44289525 | 172774 | 0 | None | -4 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL42539 | 172774 | 0 | None | -4 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 57402787 | 75970 | 0 | None | -1 | 5 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 977 | 28 | 2 | 17 | 4.4 | COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1926700 | 75970 | 0 | None | -1 | 5 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 977 | 28 | 2 | 17 | 4.4 | COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | ||
| 10555134 | 47571 | 0 | None | 173 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 573 | 9 | 2 | 8 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL148552 | 47571 | 0 | None | 173 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 573 | 9 | 2 | 8 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1007/s00044-004-0120-9 | ||
| 44428851 | 99093 | 0 | None | -8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242934 | 99093 | 0 | None | -8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 491 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 9891167 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13856 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | ||
| 10555134 | 47571 | 0 | None | 173 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 573 | 9 | 2 | 8 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | ||
| CHEMBL148552 | 47571 | 0 | None | 173 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 573 | 9 | 2 | 8 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(C)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | ||
| 10554745 | 44006 | 0 | None | 97 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | ||
| CHEMBL145353 | 44006 | 0 | None | 97 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | ||
| 491 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/j.bmcl.2004.11.032 | ||
| 9891167 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL13856 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/j.bmcl.2004.11.032 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | ||
| 57390119 | 76078 | 0 | None | 9 | 5 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 969 | 33 | 2 | 14 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928127 | 76078 | 0 | None | 9 | 5 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 969 | 33 | 2 | 14 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 10603030 | 214242 | 0 | None | 47 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| CHEMBL94259 | 214242 | 0 | None | 47 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | ||
| 44362633 | 128325 | 0 | None | 95 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL358590 | 128325 | 0 | None | 95 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10674133 | 170199 | 0 | None | 32 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 9 | 2 | 7 | 2.9 | CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL419624 | 170199 | 0 | None | 32 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 9 | 2 | 7 | 2.9 | CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 44428848 | 99069 | 0 | None | -17 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242724 | 99069 | 0 | None | -17 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 134551 | 7146 | 27 | None | -3 | 21 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 271 | 7146 | 27 | None | -3 | 21 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 885 | 7146 | 27 | None | -3 | 21 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| CHEMBL1403281 | 7146 | 27 | None | -3 | 21 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | ||
| 44431594 | 174189 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL429623 | 174189 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 136806211 | 214462 | 0 | None | 61 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328738 | 214462 | 0 | None | 61 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95434 | 214462 | 0 | None | 61 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 9817640 | 106106 | 0 | None | 9 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL282214 | 106106 | 0 | None | 9 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 489 | 6933 | 28 | None | -4 | 12 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 5640 | 6933 | 28 | None | -4 | 12 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| CHEMBL420060 | 6933 | 28 | None | -4 | 12 | Bovine | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | ||
| 10841387 | 106394 | 0 | None | 91 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL284103 | 106394 | 0 | None | 91 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 10841387 | 106394 | 0 | None | 91 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL284103 | 106394 | 0 | None | 91 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 73453 | 36389 | 24 | None | -6 | 17 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| CHEMBL1385840 | 36389 | 24 | None | -6 | 17 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| 136680384 | 214434 | 0 | None | 104 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328799 | 214434 | 0 | None | 104 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95290 | 214434 | 0 | None | 104 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44431602 | 151719 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL391035 | 151719 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857710 | 92395 | 0 | None | 10 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228279 | 92395 | 0 | None | 10 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| 10674791 | 44945 | 0 | None | 10 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | ||
| CHEMBL146163 | 44945 | 0 | None | 10 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | ||
| 10674544 | 125569 | 0 | None | 331 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL342111 | 125569 | 0 | None | 331 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 44417713 | 19194 | 0 | None | 2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1185884 | 19194 | 0 | None | 2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL439346 | 19194 | 0 | None | 2 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 118716714 | 121786 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342867 | 121786 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 56837634 | 76081 | 0 | None | -10 | 5 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1041 | 38 | 2 | 15 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928130 | 76081 | 0 | None | -10 | 5 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1041 | 38 | 2 | 15 | 6.2 | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 44362867 | 44421 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL145719 | 44421 | 0 | None | 165 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 9870 | 58 | None | -2 | 37 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 44312563 | 211699 | 2 | None | -3 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | ||
| CHEMBL76168 | 211699 | 2 | None | -3 | 7 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | ||
| 463 | 8187 | 22 | None | 5 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 6918097 | 8187 | 22 | None | 5 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 837 | 8187 | 22 | None | 5 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| CHEMBL2051956 | 8187 | 22 | None | 5 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| DB14068 | 8187 | 22 | None | 5 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | ||
| 44299835 | 205181 | 0 | None | 61 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL57691 | 205181 | 0 | None | 61 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 56961507 | 128220 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| CHEMBL3582271 | 128220 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | ||
| 10554492 | 175346 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | ||
| CHEMBL43573 | 175346 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | ||
| 44294569 | 108796 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | ||
| CHEMBL301726 | 108796 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | ||
| 10532044 | 92058 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 629 | 12 | 2 | 10 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| 136901434 | 92058 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 629 | 12 | 2 | 10 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260361 | 92058 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 629 | 12 | 2 | 10 | 4.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| 10603688 | 127924 | 0 | None | 645 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL357681 | 127924 | 0 | None | 645 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL151825 | 51149 | 0 | None | 109 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 629 | 12 | 2 | 10 | 4.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 136680386 | 214482 | 0 | None | 60 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328801 | 214482 | 0 | None | 60 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL95578 | 214482 | 0 | None | 60 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44431555 | 95937 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL236617 | 95937 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11857793 | 92433 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228494 | 92433 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| 44273916 | 105605 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL278716 | 105605 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 10603688 | 127924 | 0 | None | 645 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL357681 | 127924 | 0 | None | 645 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 10154 | 148907 | 59 | None | 58 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.9 | COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| CHEMBL388342 | 148907 | 59 | None | 58 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.9 | COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C | 10.1021/np990433j | ||
| 44431618 | 93841 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL232607 | 93841 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10627329 | 44217 | 0 | None | 8 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145525 | 44217 | 0 | None | 8 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 10091187 | 85599 | 1 | None | -23 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | ||
| CHEMBL2112779 | 85599 | 1 | None | -23 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | ||
| 10430183 | 212407 | 0 | None | -398 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 2.1 | O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL81728 | 212407 | 0 | None | -398 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 2.1 | O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00633 | ||
| 2398 | 7741 | 62 | None | -4 | 29 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 2801 | 7741 | 62 | None | -4 | 29 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 701 | 7741 | 62 | None | -4 | 29 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL415 | 7741 | 62 | None | -4 | 29 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| DB01242 | 7741 | 62 | None | -4 | 29 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 12134996 | 210866 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL70178 | 210866 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 11520239 | 10404 | 11 | None | -144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 10 | 3 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F | 10.1021/jm060383x | ||
| 1313 | 10404 | 11 | None | -144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 10 | 3 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F | 10.1021/jm060383x | ||
| CHEMBL185271 | 10404 | 11 | None | -144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 613 | 10 | 3 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F | 10.1021/jm060383x | ||
| 49865641 | 22807 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223682 | 22807 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 338 | 7 | 1 | 4 | 3.7 | Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C | 10.1016/j.bmcl.2010.07.096 | ||
| 10320782 | 106753 | 0 | None | -4 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| CHEMBL286565 | 106753 | 0 | None | -4 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| 46934645 | 23459 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242725 | 23459 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 15166842 | 105636 | 23 | None | - | 1 | Bovine | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 160 | 1 | 1 | 2 | 1.5 | C1=C(c2ccccn2)CCNC1 | 10.1021/jm00375a017 | ||
| CHEMBL278934 | 105636 | 23 | None | - | 1 | Bovine | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 160 | 1 | 1 | 2 | 1.5 | C1=C(c2ccccn2)CCNC1 | 10.1021/jm00375a017 | ||
| 9823115 | 205382 | 0 | None | -2041 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL57868 | 205382 | 0 | None | -2041 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 76311538 | 91603 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 6 | 1 | 4 | 2.8 | c1ccc(OCCN[C@H]2COC[C@H](c3ccccc3)O2)cc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234453 | 91603 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 6 | 1 | 4 | 2.8 | c1ccc(OCCN[C@H]2COC[C@H](c3ccccc3)O2)cc1 | 10.1007/s00044-010-9379-1 | ||
| 9823115 | 205382 | 0 | None | -2041 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL57868 | 205382 | 0 | None | -2041 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1007/s00044-010-9379-1 | ||
| 25132565 | 194050 | 0 | None | -7 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
| CHEMBL492785 | 194050 | 0 | None | -7 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | ||
| 22629308 | 71081 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 3 | 2 | 5 | 3.6 | N=C(Nc1ccccc1)N1CCN(/C=C2/N=C(c3cccc4ccccc34)OC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL181071 | 71081 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 3 | 2 | 5 | 3.6 | N=C(Nc1ccccc1)N1CCN(/C=C2/N=C(c3cccc4ccccc34)OC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 9865254 | 75450 | 0 | None | -512 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | ||
| CHEMBL192099 | 75450 | 0 | None | -512 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | ||
| 11948707 | 172946 | 0 | None | -128 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
| CHEMBL426317 | 172946 | 0 | None | -128 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
| 11395842 | 107467 | 0 | None | -21 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
| CHEMBL292399 | 107467 | 0 | None | -21 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | ||
| 11058166 | 211484 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74114 | 211484 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 52942591 | 24384 | 0 | None | 4 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258228 | 24384 | 0 | None | 4 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 12039032 | 105038 | 0 | None | 14 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL274529 | 105038 | 0 | None | 14 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 127025279 | 144433 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 9 | 1 | 4 | 2.8 | COc1ccccc1N1CCN(CCCCNC(=O)CC(C)C)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758403 | 144433 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 9 | 1 | 4 | 2.8 | COc1ccccc1N1CCN(CCCCNC(=O)CC(C)C)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 44308654 | 210363 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL66823 | 210363 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 9822814 | 108726 | 0 | None | -346 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL301224 | 108726 | 0 | None | -346 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 11589069 | 103022 | 0 | None | -25 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 4.4 | O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm070279v | ||
| CHEMBL260994 | 103022 | 0 | None | -25 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 4.4 | O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm070279v | ||
| 9822814 | 108726 | 0 | None | -389 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL301224 | 108726 | 0 | None | -389 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | ||
| 506 | 9032 | 39 | None | -81 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 6603904 | 9032 | 39 | None | -81 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL19476 | 9032 | 39 | None | -81 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 506 | 9032 | 39 | None | -81 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 6603904 | 9032 | 39 | None | -81 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| CHEMBL19476 | 9032 | 39 | None | -81 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 11315660 | 174767 | 0 | None | -144 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL431943 | 174767 | 0 | None | -144 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 155529118 | 183343 | 0 | None | -37 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4462768 | 183343 | 0 | None | -37 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4597358 | 183343 | 0 | None | -37 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 44420418 | 90205 | 0 | None | -13 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL219718 | 90205 | 0 | None | -13 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 135 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
| 1796 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
| 4184 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
| CHEMBL6437 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
| DB06148 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00366a007 | ||
| 11857864 | 151027 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL390473 | 151027 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 2419 | 7482 | 28 | None | -52 | 11 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 9 | 7482 | 28 | None | -52 | 11 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL13647 | 7482 | 28 | None | -52 | 11 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | ||
| 3158 | 63041 | 27 | None | -295 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 63041 | 27 | None | -295 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| DB01142 | 63041 | 27 | None | -295 | 20 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 135 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00375a017 | ||
| 1796 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00375a017 | ||
| 4184 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00375a017 | ||
| CHEMBL6437 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00375a017 | ||
| DB06148 | 9310 | 43 | None | -9 | 56 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00375a017 | ||
| 11372228 | 108444 | 0 | None | -51 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL299253 | 108444 | 0 | None | -51 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1007/s00044-010-9379-1 | ||
| 11108001 | 17644 | 2 | None | -3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 17644 | 2 | None | -3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 17644 | 2 | None | -3 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11000184 | 19824 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 19824 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 19824 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11372228 | 108444 | 0 | None | -51 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL299253 | 108444 | 0 | None | -51 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1007/s00044-010-9379-1 | ||
| 9802999 | 202453 | 0 | None | -2 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL55655 | 202453 | 0 | None | -2 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 197001 | 70121 | 20 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL179440 | 70121 | 20 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 | 10.1016/j.bmcl.2004.11.032 | ||
| 10840781 | 43707 | 0 | None | 3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| CHEMBL145122 | 43707 | 0 | None | 3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | ||
| 44292470 | 108412 | 5 | None | -57 | 2 | Bovine | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 211 | 1 | 1 | 3 | 1.5 | Cc1ccnc(N2CCNCC2)c1Cl | 10.1021/jm00366a007 | ||
| CHEMBL299007 | 108412 | 5 | None | -57 | 2 | Bovine | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 211 | 1 | 1 | 3 | 1.5 | Cc1ccnc(N2CCNCC2)c1Cl | 10.1021/jm00366a007 | ||
| 10646816 | 50155 | 0 | None | 7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 441 | 8 | 3 | 6 | 2.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL150743 | 50155 | 0 | None | 7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 441 | 8 | 3 | 6 | 2.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1 | 10.1021/jm980506g | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 71817857 | 98900 | 0 | None | 3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419766 | 98900 | 0 | None | 3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 25130876 | 199404 | 0 | None | -125 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
| CHEMBL521665 | 199404 | 0 | None | -125 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
| 10236758 | 122550 | 5 | None | -446 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL3354065 | 122550 | 5 | None | -446 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 71521480 | 93036 | 0 | None | -1096 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
| CHEMBL2312538 | 93036 | 0 | None | -1096 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | ||
| 44462130 | 212111 | 0 | None | 45 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | ||
| CHEMBL79532 | 212111 | 0 | None | 45 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | ||
| 13141185 | 67262 | 0 | None | 9 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 0 | 0 | 2 | 4.3 | CN1CCC(=C2c3cc(Br)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL175508 | 67262 | 0 | None | 9 | 2 | Bovine | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 0 | 0 | 2 | 4.3 | CN1CCC(=C2c3cc(Br)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 155533100 | 183123 | 0 | None | -6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4468507 | 183123 | 0 | None | -6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595564 | 183123 | 0 | None | -6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 56945167 | 78290 | 0 | None | -56 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | ||
| CHEMBL1946788 | 78290 | 0 | None | -56 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | ||
| CHEMBL1962757 | 78290 | 0 | None | -56 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | ||
| 12488 | 8438 | 56 | None | -77 | 23 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 8438 | 56 | None | -77 | 23 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 8438 | 56 | None | -77 | 23 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 8438 | 56 | None | -77 | 23 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 9931327 | 76585 | 1 | None | -2290 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | ||
| CHEMBL193620 | 76585 | 1 | None | -2290 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | ||
| 136 | 10065 | 32 | None | -6918 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| 223 | 10065 | 32 | None | -6918 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| 643606 | 10065 | 32 | None | -6918 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| CHEMBL10347 | 10065 | 32 | None | -6918 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | ||
| 1960 | 9632 | 67 | None | -10 | 26 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 439260 | 9632 | 67 | None | -10 | 26 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 505 | 9632 | 67 | None | -10 | 26 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| CHEMBL1437 | 9632 | 67 | None | -10 | 26 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| DB00368 | 9632 | 67 | None | -10 | 26 | Bovine | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 9905391 | 116263 | 0 | None | 6 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL322082 | 116263 | 0 | None | 6 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 123981 | 23231 | 22 | None | -245 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
| CHEMBL123349 | 23231 | 22 | None | -245 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
| CHEMBL536803 | 23231 | 22 | None | -245 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | ||
| 11740041 | 213338 | 0 | None | -8 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 372 | 7 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1 | 10.1021/jm970216k | ||
| CHEMBL88715 | 213338 | 0 | None | -8 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 372 | 7 | 0 | 5 | 2.7 | COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1 | 10.1021/jm970216k | ||
| 44431612 | 155643 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL394139 | 155643 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 36811 | 8236 | 37 | None | -2 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 535 | 8236 | 37 | None | -2 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 937 | 8236 | 37 | None | -2 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| CHEMBL926 | 8236 | 37 | None | -2 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| DB00841 | 8236 | 37 | None | -2 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 44330880 | 214930 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL98168 | 214930 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| 10132012 | 116522 | 0 | None | 7 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 2 | 3 | 3.3 | CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL323004 | 116522 | 0 | None | 7 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 2 | 3 | 3.3 | CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 136806214 | 214908 | 0 | None | 60 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44329028 | 214908 | 0 | None | 60 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL98038 | 214908 | 0 | None | 60 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 10916464 | 210932 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70563 | 210932 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11312410 | 15674 | 0 | None | 9 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL109755 | 15674 | 0 | None | 9 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 11312410 | 15674 | 0 | None | 9 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
| CHEMBL109755 | 15674 | 0 | None | 9 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | ||
| 11511026 | 22808 | 0 | None | -75 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223683 | 22808 | 0 | None | -75 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| 127024958 | 144423 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 7 | 2 | 4 | 3.9 | O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758330 | 144423 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 7 | 2 | 4 | 3.9 | O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 76326541 | 92116 | 0 | None | 28 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261355 | 92116 | 0 | None | 28 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 53328311 | 70159 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796030 | 70159 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 9926529 | 16161 | 2 | None | 1 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111496 | 16161 | 2 | None | 1 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 10698608 | 50101 | 0 | None | 40 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 588 | 10 | 3 | 7 | 2.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL150696 | 50101 | 0 | None | 40 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 588 | 10 | 3 | 7 | 2.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)N(C)C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 76318764 | 91604 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCN[C@H]1COC[C@H](c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234454 | 91604 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCN[C@H]1COC[C@H](c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| 25131192 | 194104 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 373 | 9 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
| CHEMBL493043 | 194104 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 373 | 9 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
| 213 | 10625 | 55 | None | -4 | 43 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 10625 | 55 | None | -4 | 43 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 10625 | 55 | None | -4 | 43 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 10625 | 55 | None | -4 | 43 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 10625 | 55 | None | -4 | 43 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 44288754 | 177295 | 0 | None | 36 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL44496 | 177295 | 0 | None | 36 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 53328312 | 70160 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796031 | 70160 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 118567543 | 178147 | 0 | None | -4 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 0 | 4 | 4.2 | O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2 | 10.1021/acs.jmedchem.9b01256 | ||
| CHEMBL4461774 | 178147 | 0 | None | -4 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 0 | 4 | 4.2 | O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2 | 10.1021/acs.jmedchem.9b01256 | ||
| 71450550 | 90582 | 0 | None | 1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205836 | 90582 | 0 | None | 1 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 72457 | 109051 | 14 | None | -4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 342 | 3 | 4 | 3 | 4.0 | O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL303282 | 109051 | 14 | None | -4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 342 | 3 | 4 | 3 | 4.0 | O=C(c1nc(-c2c[nH]c3ccccc23)c[nH]1)c1c[nH]c2cc(O)ccc12 | 10.1016/0960-894X(96)00376-9 | ||
| 9814617 | 16106 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.7 | CS(=O)(=O)Nc1cccc2c1OCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111151 | 16106 | 0 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.7 | CS(=O)(=O)Nc1cccc2c1OCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 9958160 | 205633 | 0 | None | -31 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL58384 | 205633 | 0 | None | -31 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 16041263 | 102222 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL257098 | 102222 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 53328506 | 70169 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796040 | 70169 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 44428850 | 99070 | 0 | None | -8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242725 | 99070 | 0 | None | -8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 46881444 | 14387 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1088072 | 14387 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 118716703 | 121774 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342856 | 121774 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44414173 | 19661 | 0 | None | -7 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 4.2 | Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188901 | 19661 | 0 | None | -7 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 4.2 | Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL537650 | 19661 | 0 | None | -7 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 4.2 | Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2006.05.002 | ||
| 21670271 | 72013 | 3 | None | - | 1 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 1 | 0 | 2 | 1.8 | CN1CC=C(c2cccnc2)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL18270 | 72013 | 3 | None | - | 1 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 1 | 0 | 2 | 1.8 | CN1CC=C(c2cccnc2)CC1 | 10.1021/jm00375a017 | ||
| 46846073 | 12572 | 0 | None | -223 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 9 | 1 | 4 | 5.6 | c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1078772 | 12572 | 0 | None | -223 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 9 | 1 | 4 | 5.6 | c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | ||
| 240 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 2769 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 44279790 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 660 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL1729 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| CHEMBL560739 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| DB00604 | 7731 | 43 | None | -4 | 25 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | ||
| 13298530 | 105848 | 20 | None | -97 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 1 | 0 | 3 | 1.0 | CN1CCN(c2ncccc2F)CC1 | 10.1021/jm00366a007 | ||
| CHEMBL280514 | 105848 | 20 | None | -97 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 1 | 0 | 3 | 1.0 | CN1CCN(c2ncccc2F)CC1 | 10.1021/jm00366a007 | ||
| 6603710 | 130725 | 10 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 3.9 | CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2c[nH]cn2)c1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL362863 | 130725 | 10 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 3.9 | CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2c[nH]cn2)c1 | 10.1016/j.bmcl.2004.11.032 | ||
| 13298530 | 105848 | 20 | None | -97 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 1 | 0 | 3 | 1.0 | CN1CCN(c2ncccc2F)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL280514 | 105848 | 20 | None | -97 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 1 | 0 | 3 | 1.0 | CN1CCN(c2ncccc2F)CC1 | 10.1021/jm00375a017 | ||
| 4735 | 201894 | 96 | None | -77 | 10 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 201894 | 96 | None | -77 | 10 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 201894 | 96 | None | -77 | 10 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | ||
| 9 | 7482 | 28 | None | -288 | 11 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | ||
| 19085827 | 111640 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL311014 | 111640 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 44571938 | 186852 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 300 | 3 | 1 | 3 | 3.0 | Fc1ccn(Cc2c(F)ccc3c2CC[C@H]3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL474796 | 186852 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 300 | 3 | 1 | 3 | 3.0 | Fc1ccn(Cc2c(F)ccc3c2CC[C@H]3c2ncc[nH]2)n1 | 10.1016/j.bmcl.2008.10.066 | ||
| 44431617 | 95117 | 0 | None | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234854 | 95117 | 0 | None | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44390740 | 129716 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@@H]1O | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL360688 | 129716 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@@H]1O | 10.1016/j.bmcl.2004.11.032 | ||
| 3033677 | 209723 | 40 | None | -25 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 411 | 5 | 1 | 5 | 3.8 | O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL2355519 | 209723 | 40 | None | -25 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 411 | 5 | 1 | 5 | 3.8 | O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL62919 | 209723 | 40 | None | -25 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 411 | 5 | 1 | 5 | 3.8 | O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 | 10.1021/acs.jmedchem.2c00633 | ||
| 127025276 | 144505 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 8 | 2 | 4 | 4.1 | COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758991 | 144505 | 0 | None | -3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 8 | 2 | 4 | 4.1 | COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 10579632 | 42359 | 0 | None | 5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| CHEMBL143940 | 42359 | 0 | None | 5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | ||
| 52944674 | 23894 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1255085 | 23894 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 134150497 | 158871 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 324 | 6 | 0 | 3 | 3.8 | CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| CHEMBL3967641 | 158871 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 324 | 6 | 0 | 3 | 3.8 | CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | ||
| 44298780 | 203327 | 0 | None | 25 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL56375 | 203327 | 0 | None | 25 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | ||
| 44329026 | 215204 | 0 | None | 19 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL99864 | 215204 | 0 | None | 19 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 16041264 | 102218 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL257077 | 102218 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 2894 | 214850 | 6 | None | -12 | 6 | Bovine | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | ||
| CHEMBL97698 | 214850 | 6 | None | -12 | 6 | Bovine | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | ||
| 44288485 | 169299 | 0 | None | 29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL41677 | 169299 | 0 | None | 29 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 10746137 | 43728 | 0 | None | 138 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL145134 | 43728 | 0 | None | 138 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 90645595 | 119264 | 0 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298748 | 119264 | 0 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 118716717 | 121789 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342870 | 121789 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44404321 | 77067 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 1 | 5 | 3.0 | COc1cccc(N(NC2=NCCO2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL194323 | 77067 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 1 | 5 | 3.0 | COc1cccc(N(NC2=NCCO2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | ||
| 44404326 | 140302 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 283 | 3 | 2 | 5 | 2.7 | Cc1ccc(N(NC2=NCCO2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
| CHEMBL370818 | 140302 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 283 | 3 | 2 | 5 | 2.7 | Cc1ccc(N(NC2=NCCO2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | ||
| 44447018 | 101639 | 0 | None | -131 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 496 | 7 | 1 | 5 | 5.0 | O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL253878 | 101639 | 0 | None | -131 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 496 | 7 | 1 | 5 | 5.0 | O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21 | 10.1016/j.bmcl.2007.11.106 | ||
| 44288468 | 175160 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
| CHEMBL434591 | 175160 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | ||
| 16041630 | 104323 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL270589 | 104323 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 44289525 | 172774 | 0 | None | -5 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| CHEMBL42539 | 172774 | 0 | None | -5 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| 44426405 | 148831 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL387832 | 148831 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | ||
| 10746433 | 127861 | 0 | None | 295 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 619 | 13 | 3 | 9 | 3.0 | COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL357061 | 127861 | 0 | None | 295 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 619 | 13 | 3 | 9 | 3.0 | COCCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 69781970 | 168130 | 0 | None | -14 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4125981 | 168130 | 0 | None | -14 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 132266 | 8061 | 12 | None | -28 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 486 | 8061 | 12 | None | -28 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| CHEMBL423294 | 8061 | 12 | None | -28 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 180 | 7189 | 56 | None | -10 | 40 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 7189 | 56 | None | -10 | 40 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 7189 | 56 | None | -10 | 40 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 7189 | 56 | None | -10 | 40 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 7189 | 56 | None | -10 | 40 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 44431554 | 95118 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234874 | 95118 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44431547 | 161383 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL399195 | 161383 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 11994667 | 18603 | 0 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182143 | 18603 | 0 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214694 | 18603 | 0 | None | 1 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 71458492 | 91344 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153556 | 91344 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220896 | 91344 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 44447012 | 101574 | 0 | None | -56 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 516 | 6 | 1 | 5 | 5.7 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| CHEMBL253439 | 101574 | 0 | None | -56 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 516 | 6 | 1 | 5 | 5.7 | O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.11.106 | ||
| 10575494 | 172526 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 1 | 8 | 2.5 | COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL424658 | 172526 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 449 | 7 | 1 | 8 | 2.5 | COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 44301681 | 209473 | 0 | None | 309 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL61643 | 209473 | 0 | None | 309 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 145953314 | 168208 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4127078 | 168208 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
| 10895039 | 25292 | 0 | None | -3 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 8 | 1 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 | 10.1021/jm0211220 | ||
| CHEMBL127400 | 25292 | 0 | None | -3 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 8 | 1 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 | 10.1021/jm0211220 | ||
| CHEMBL129022 | 25292 | 0 | None | -3 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 8 | 1 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 | 10.1021/jm0211220 | ||
| 44431617 | 151679 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL391016 | 151679 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 44295044 | 108357 | 0 | None | 169 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL298579 | 108357 | 0 | None | 169 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1007/s00044-010-9379-1 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1007/s00044-010-9379-1 | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1007/s00044-010-9379-1 | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1007/s00044-010-9379-1 | ||
| 10793963 | 106448 | 0 | None | 9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| CHEMBL284470 | 106448 | 0 | None | 9 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | ||
| 10032383 | 116887 | 0 | None | 194 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 136680387 | 116887 | 0 | None | 194 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL323579 | 116887 | 0 | None | 194 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | ||
| 11857793 | 92425 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228445 | 92425 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | ||
| 10743042 | 194931 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
| CHEMBL49851 | 194931 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | ||
| 10651706 | 128292 | 0 | None | 25 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.5 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL358406 | 128292 | 0 | None | 25 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.5 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 144096985 | 170873 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| CHEMBL4209590 | 170873 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | ||
| 9841781 | 129838 | 0 | None | -13 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609357 | 129838 | 0 | None | -13 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 | 10.1016/j.bmcl.2015.07.046 | ||
| 44288794 | 168855 | 0 | None | 39 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL416073 | 168855 | 0 | None | 39 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 10026936 | 170237 | 0 | None | 114 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL41994 | 170237 | 0 | None | 114 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 2267 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | ||
| 271 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | ||
| 7121 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL639 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | ||
| DB00972 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/acsmedchemlett.7b00112 | ||
| 24824726 | 167888 | 1 | None | -64 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL4060529 | 167888 | 1 | None | -64 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL4117079 | 167888 | 1 | None | -64 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5282336 | 167888 | 1 | None | -64 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5286389 | 167888 | 1 | None | -64 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5273244 | 201395 | 0 | None | -100 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 6 | 2.9 | COCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315364 | 201395 | 0 | None | -100 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 6 | 2.9 | COCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 2267 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | ||
| 271 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | ||
| 7121 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | ||
| CHEMBL639 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | ||
| DB00972 | 7347 | 71 | None | -15 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1021/jm1013874 | ||
| 52937728 | 68084 | 0 | None | -100 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767145 | 68084 | 0 | None | -100 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 155565449 | 183110 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4579802 | 183110 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595447 | 183110 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 2267 | 7347 | 71 | None | -15 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 271 | 7347 | 71 | None | -15 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 7121 | 7347 | 71 | None | -15 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL639 | 7347 | 71 | None | -15 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| DB00972 | 7347 | 71 | None | -15 | 7 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 19608536 | 144560 | 0 | None | -10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 1 | 3 | 4.8 | O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3759513 | 144560 | 0 | None | -10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 1 | 3 | 4.8 | O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2015.12.068 | ||
| 12575 | 8769 | 30 | None | -331 | 17 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
| 54459 | 8769 | 30 | None | -331 | 17 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
| CHEMBL10316 | 8769 | 30 | None | -331 | 17 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
| DB12551 | 8769 | 30 | None | -331 | 17 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 204 | 1 | 1 | 4 | 0.8 | C1CN=C(N1)C2COC3=CC=CC=C3O2 | 10.1021/jm00366a007 | ||
| 506 | 9032 | 39 | None | -97 | 6 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 6603904 | 9032 | 39 | None | -97 | 6 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| CHEMBL19476 | 9032 | 39 | None | -97 | 6 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | ||
| 102 | 10899 | 48 | None | -1258 | 49 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 3659 | 10899 | 48 | None | -1258 | 49 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 8969 | 10899 | 48 | None | -1258 | 49 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| CHEMBL15245 | 10899 | 48 | None | -1258 | 49 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| DB01392 | 10899 | 48 | None | -1258 | 49 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | ||
| 10792152 | 213730 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 7 | 3 | 4 | 3.9 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| CHEMBL91179 | 213730 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 7 | 3 | 4 | 3.9 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | ||
| 75306277 | 116031 | 0 | None | -251 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| CHEMBL3217984 | 116031 | 0 | None | -251 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| 52937731 | 68087 | 0 | None | -630 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 | 10.1021/jm1013874 | ||
| CHEMBL1767148 | 68087 | 0 | None | -630 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.4 | Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 | 10.1021/jm1013874 | ||
| 52937829 | 68092 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 6 | 0 | 4 | 3.2 | CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12 | 10.1021/jm1013874 | ||
| CHEMBL1767153 | 68092 | 0 | None | -316 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 6 | 0 | 4 | 3.2 | CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12 | 10.1021/jm1013874 | ||
| 11736917 | 16049 | 2 | None | 1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 254 | 4 | 2 | 3 | 1.5 | CCS(=O)(=O)Nc1cccc(C2CCNC2)c1 | 10.1021/jm030551a | ||
| CHEMBL110859 | 16049 | 2 | None | 1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 254 | 4 | 2 | 3 | 1.5 | CCS(=O)(=O)Nc1cccc(C2CCNC2)c1 | 10.1021/jm030551a | ||
| 9880162 | 16074 | 0 | None | -1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL110976 | 16074 | 0 | None | -1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 9823115 | 205382 | 0 | None | -2511 | 5 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL57868 | 205382 | 0 | None | -2511 | 5 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 16041449 | 101995 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256040 | 101995 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 16041092 | 102155 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256804 | 102155 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 9820229 | 129837 | 0 | None | -6 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN2CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609356 | 129837 | 0 | None | -6 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 5 | 1 | 2 | 4.8 | c1ccc2c(c1)CCN2CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | ||
| 10739024 | 76608 | 0 | None | -20 | 6 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19376 | 76608 | 0 | None | -20 | 6 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 10961938 | 126317 | 0 | None | -8511 | 7 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 485 | 8 | 1 | 4 | 5.5 | COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12 | 10.1021/jm050171k | ||
| CHEMBL345820 | 126317 | 0 | None | -8511 | 7 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 485 | 8 | 1 | 4 | 5.5 | COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12 | 10.1021/jm050171k | ||
| 76322413 | 91602 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCN[C@H]1CO[C@H](c2ccccc2)CO1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234452 | 91602 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCN[C@H]1CO[C@H](c2ccccc2)CO1 | 10.1007/s00044-010-9379-1 | ||
| 2803 | 7742 | 58 | None | -8 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 516 | 7742 | 58 | None | -8 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 704 | 7742 | 58 | None | -8 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL134 | 7742 | 58 | None | -8 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| DB00575 | 7742 | 58 | None | -8 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 25132564 | 194181 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 373 | 9 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
| CHEMBL493661 | 194181 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 373 | 9 | 1 | 6 | 2.8 | COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | ||
| 3086326 | 211310 | 22 | None | -138 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL72753 | 211310 | 22 | None | -138 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 16041630 | 104323 | 0 | None | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL270589 | 104323 | 0 | None | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 49783209 | 24381 | 0 | None | -912 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 24381 | 0 | None | -912 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 127036932 | 144126 | 0 | None | -17 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3752900 | 144126 | 0 | None | -17 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 9813756 | 15788 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL109848 | 15788 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 9813756 | 15788 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL109848 | 15788 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 255 | 2 | 2 | 2 | 2.8 | CC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 15546405 | 103933 | 0 | None | 12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL268030 | 103933 | 0 | None | 12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 44331277 | 11248 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL101869 | 11248 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| 9800400 | 129835 | 1 | None | -7 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 5 | 1 | 3 | 4.0 | O=C1c2ccccc2C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609354 | 129835 | 1 | None | -7 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 5 | 1 | 3 | 4.0 | O=C1c2ccccc2C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2015.07.046 | ||
| 10818003 | 113198 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
| CHEMBL313953 | 113198 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | ||
| 10818003 | 113198 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL313953 | 113198 | 0 | None | 3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1007/s00044-004-0120-9 | ||
| 44420412 | 91571 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL223289 | 91571 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 14925759 | 164817 | 6 | None | -18 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 164817 | 6 | None | -18 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 56946472 | 78286 | 0 | None | -26 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
| CHEMBL1946778 | 78286 | 0 | None | -26 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
| CHEMBL1962753 | 78286 | 0 | None | -26 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | ||
| 11372228 | 108444 | 0 | None | -64 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
| CHEMBL299253 | 108444 | 0 | None | -64 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | ||
| 11771731 | 115023 | 2 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| CHEMBL319706 | 115023 | 2 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.0c01912 | ||
| 9947861 | 210941 | 0 | None | 4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70634 | 210941 | 0 | None | 4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 76311539 | 91607 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 299 | 6 | 1 | 4 | 2.8 | c1ccc(OCCN[C@H]2CO[C@H](c3ccccc3)CO2)cc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234457 | 91607 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 299 | 6 | 1 | 4 | 2.8 | c1ccc(OCCN[C@H]2CO[C@H](c3ccccc3)CO2)cc1 | 10.1007/s00044-010-9379-1 | ||
| 10267873 | 117437 | 0 | None | 5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL325897 | 117437 | 0 | None | 5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | ||
| 14004035 | 126297 | 0 | None | 1 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
| CHEMBL345621 | 126297 | 0 | None | 1 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
| 25131196 | 199411 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
| CHEMBL521694 | 199411 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1 | 10.1021/jm800461k | ||
| 10267873 | 117437 | 0 | None | 5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1021/jm030551a | ||
| CHEMBL325897 | 117437 | 0 | None | 5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1021/jm030551a | ||
| 441383 | 27105 | 57 | None | -257 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 27105 | 57 | None | -257 | 17 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 11505007 | 97039 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL238402 | 97039 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11303253 | 205376 | 0 | None | -147 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL57859 | 205376 | 0 | None | -147 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 9909471 | 203685 | 0 | None | -17 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL56620 | 203685 | 0 | None | -17 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 9909471 | 203685 | 0 | None | -17 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL56620 | 203685 | 0 | None | -17 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 14004035 | 126297 | 0 | None | 1 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
| CHEMBL345621 | 126297 | 0 | None | 1 | 2 | Bovine | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 0 | 1 | 2 | 2.6 | c1cnc2[nH]c3c(c2c1)CCN1CCCCC31 | 10.1021/jm00398a025 | ||
| 1343 | 8670 | 62 | None | -87 | 9 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 8670 | 62 | None | -87 | 9 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 8670 | 62 | None | -87 | 9 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 8670 | 62 | None | -87 | 9 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 8670 | 62 | None | -87 | 9 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 10411237 | 124260 | 0 | None | -229 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 7 | 2 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1 | 10.1021/jm0211220 | ||
| CHEMBL339960 | 124260 | 0 | None | -229 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 7 | 2 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1 | 10.1021/jm0211220 | ||
| CHEMBL4287055 | 124260 | 0 | None | -229 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 7 | 2 | 3 | 4.8 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1 | 10.1021/jm0211220 | ||
| 11090351 | 170170 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL419448 | 170170 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 76330200 | 92115 | 0 | None | 2 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261354 | 92115 | 0 | None | 2 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | ||
| 135423051 | 84607 | 0 | None | 2 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
| CHEMBL2092926 | 84607 | 0 | None | 2 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1 | 10.1021/jm970159v | ||
| 456386 | 209782 | 6 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL63208 | 209782 | 6 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | ||
| 44300018 | 205072 | 0 | None | -660 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL57593 | 205072 | 0 | None | -660 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 44331198 | 11231 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL101739 | 11231 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | ||
| 9797995 | 20719 | 0 | None | -51 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 4.6 | c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1196601 | 20719 | 0 | None | -51 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 4.6 | c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL557584 | 20719 | 0 | None | -51 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 4.6 | c1ccc2c(C3CCN(CCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 10626982 | 118272 | 0 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL327775 | 118272 | 0 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 10626982 | 118272 | 0 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL327775 | 118272 | 0 | None | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 52941981 | 24288 | 0 | None | -2 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1257883 | 24288 | 0 | None | -2 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 44314198 | 111189 | 0 | None | -95 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL310335 | 111189 | 0 | None | -95 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 210 | 3 | 1 | 3 | 2.3 | CCC[C@H]1CCCCC1NC1=NCCO1 | 10.1016/0960-894X(94)85032-1 | ||
| 1201549 | 7384 | 24 | None | -51 | 20 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 7384 | 24 | None | -51 | 20 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 7384 | 24 | None | -51 | 20 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 7384 | 24 | None | -51 | 20 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 7384 | 24 | None | -51 | 20 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 7384 | 24 | None | -51 | 20 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 18001206 | 19558 | 0 | None | -4 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 5 | 0 | 4 | 3.9 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188049 | 19558 | 0 | None | -4 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 5 | 0 | 4 | 3.9 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL534943 | 19558 | 0 | None | -4 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 5 | 0 | 4 | 3.9 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 9798656 | 19662 | 0 | None | -38 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188902 | 19662 | 0 | None | -38 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL537651 | 19662 | 0 | None | -38 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 10859076 | 20454 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1194763 | 20454 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL553276 | 20454 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 134137025 | 149516 | 0 | None | -11 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL3892434 | 149516 | 0 | None | -11 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
| 44288810 | 176241 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL44288 | 176241 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 12134994 | 170086 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| CHEMBL418882 | 170086 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | ||
| 6075 | 156887 | 42 | None | -11 | 16 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 156887 | 42 | None | -11 | 16 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 11568725 | 22870 | 0 | None | -104 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 6.1 | Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223856 | 22870 | 0 | None | -104 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 6.1 | Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| 44362633 | 128325 | 0 | None | 95 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL358590 | 128325 | 0 | None | 95 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 10946567 | 23241 | 0 | None | -47 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| CHEMBL123448 | 23241 | 0 | None | -47 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | ||
| 10508132 | 113794 | 0 | None | 13 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL315392 | 113794 | 0 | None | 13 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | ||
| 10769499 | 50990 | 0 | None | 489 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 576 | 10 | 3 | 8 | 3.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL151668 | 50990 | 0 | None | 489 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 576 | 10 | 3 | 8 | 3.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| 10508132 | 113794 | 0 | None | 13 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL315392 | 113794 | 0 | None | 13 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 155542075 | 183398 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4520390 | 183398 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4597826 | 183398 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 9934955 | 79051 | 0 | None | -165 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19826 | 79051 | 0 | None | -165 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 23290944 | 88601 | 0 | None | -389 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| CHEMBL2164350 | 88601 | 0 | None | -389 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 392 | 6 | 0 | 4 | 3.8 | O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2)CC1)c1ccccn1 | 10.1016/j.bmcl.2012.05.119 | ||
| 11474152 | 107397 | 0 | None | -275 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL291908 | 107397 | 0 | None | -275 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 9816461 | 17491 | 7 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117094 | 17491 | 7 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL544290 | 17491 | 7 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11034737 | 211307 | 0 | None | -2 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 211307 | 0 | None | -2 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10769499 | 50990 | 0 | None | 489 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 576 | 10 | 3 | 8 | 3.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL151668 | 50990 | 0 | None | 489 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 576 | 10 | 3 | 8 | 3.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 44390756 | 70631 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 10 | 0 | 7 | 2.1 | CCOC(=O)C1CCC(=O)N1CC(=O)CCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL180312 | 70631 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 10 | 0 | 7 | 2.1 | CCOC(=O)C1CCC(=O)N1CC(=O)CCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 9822942 | 204716 | 0 | None | -48 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | ||
| CHEMBL57317 | 204716 | 0 | None | -48 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | ||
| 9845181 | 214940 | 3 | None | -4168 | 13 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | ||
| CHEMBL98241 | 214940 | 3 | None | -4168 | 13 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | ||
| 49865601 | 22794 | 0 | None | -34 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.1 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223617 | 22794 | 0 | None | -34 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.1 | FC(F)(F)c1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 2865 | 10915 | 73 | None | -14 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | nan | ||
| 59 | 10915 | 73 | None | -14 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | nan | ||
| 60854 | 10915 | 73 | None | -14 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | nan | ||
| CHEMBL708 | 10915 | 73 | None | -14 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | nan | ||
| DB00246 | 10915 | 73 | None | -14 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | nan | ||
| 44431574 | 94577 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL233814 | 94577 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 49865668 | 22823 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223748 | 22823 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 24805674 | 104594 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL271989 | 104594 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 10698880 | 127646 | 0 | None | 630 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| CHEMBL355910 | 127646 | 0 | None | 630 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm980506g | ||
| 10698880 | 127646 | 0 | None | 630 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL355910 | 127646 | 0 | None | 630 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 603 | 11 | 3 | 8 | 3.7 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1007/s00044-004-0120-9 | ||
| 9893246 | 128270 | 0 | None | 34 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 4.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL358253 | 128270 | 0 | None | 34 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 4.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 9893246 | 128270 | 0 | None | 34 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 4.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL358253 | 128270 | 0 | None | 34 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 4.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 11857792 | 176148 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL442059 | 176148 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | ||
| 16041265 | 102112 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256597 | 102112 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 44431548 | 93821 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL232592 | 93821 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL5272034 | 201390 | 0 | None | -10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315277 | 201390 | 0 | None | -10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 496 | 11 | 1 | 6 | 3.6 | COCCNC(=O)CCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 136806218 | 119455 | 0 | None | 75 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 44328754 | 119455 | 0 | None | 75 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| CHEMBL330401 | 119455 | 0 | None | 75 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | ||
| 52944615 | 23881 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1255002 | 23881 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 44298762 | 107405 | 0 | None | 15 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL291951 | 107405 | 0 | None | 15 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | ||
| 10839389 | 107130 | 0 | None | -3 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL289627 | 107130 | 0 | None | -3 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 487 | 10406 | 21 | None | -4 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| 60602 | 10406 | 21 | None | -4 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| CHEMBL405355 | 10406 | 21 | None | -4 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| DB09239 | 10406 | 21 | None | -4 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | ||
| 44288792 | 107092 | 0 | None | 134 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL289339 | 107092 | 0 | None | 134 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 124 | 9755 | 47 | None | -13 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2032 | 9755 | 47 | None | -13 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 4636 | 9755 | 47 | None | -13 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| CHEMBL762 | 9755 | 47 | None | -13 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| DB00935 | 9755 | 47 | None | -13 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 118716704 | 121775 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342857 | 121775 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 118716715 | 121787 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342868 | 121787 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44331169 | 174726 | 0 | None | 14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL431631 | 174726 | 0 | None | 14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
| 16041449 | 101995 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256040 | 101995 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 57391896 | 76080 | 0 | None | 1 | 5 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1013 | 36 | 2 | 15 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928129 | 76080 | 0 | None | 1 | 5 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1013 | 36 | 2 | 15 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 2894 | 214850 | 6 | None | -12 | 6 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| CHEMBL97698 | 214850 | 6 | None | -12 | 6 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | ||
| 46934791 | 23462 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| CHEMBL1242818 | 23462 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | ||
| 145960918 | 168307 | 0 | None | -8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128460 | 168307 | 0 | None | -8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 46882085 | 12587 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1078953 | 12587 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | ||
| 21830793 | 98610 | 10 | None | -44 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| CHEMBL2413154 | 98610 | 10 | None | -44 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| 11948707 | 172946 | 0 | None | -128 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1021/acs.jmedchem.2c00633 | ||
| CHEMBL426317 | 172946 | 0 | None | -128 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1021/acs.jmedchem.2c00633 | ||
| 118716700 | 121771 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342853 | 121771 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 10841296 | 43230 | 0 | None | 46 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| CHEMBL144731 | 43230 | 0 | None | 46 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | ||
| 10810527 | 107349 | 0 | None | -2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL291588 | 107349 | 0 | None | -2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 2142 | 9870 | 58 | None | -1 | 37 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
| 4920903 | 9870 | 58 | None | -1 | 37 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
| 502 | 9870 | 58 | None | -1 | 37 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
| 5775 | 9870 | 58 | None | -1 | 37 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
| CHEMBL597 | 9870 | 58 | None | -1 | 37 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
| DB00692 | 9870 | 58 | None | -1 | 37 | Bovine | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | ||
| 10507357 | 210715 | 0 | None | 58 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 574 | 10 | 1 | 7 | 4.0 | COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 | 10.1021/jm9905918 | ||
| CHEMBL69245 | 210715 | 0 | None | 58 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 574 | 10 | 1 | 7 | 4.0 | COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 | 10.1021/jm9905918 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990201h | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990201h | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990201h | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990201h | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990201h | ||
| 10747021 | 127798 | 0 | None | 12 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL356571 | 127798 | 0 | None | 12 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | ||
| 90645600 | 119210 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298018 | 119210 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 135398745 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 3038495 | 7495 | 37 | None | -40 | 18 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm0211220 | ||
| 7625 | 7495 | 37 | None | -40 | 18 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm0211220 | ||
| CHEMBL25236 | 7495 | 37 | None | -40 | 18 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1021/jm0211220 | ||
| 44414264 | 19560 | 0 | None | -7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 326 | 5 | 0 | 3 | 4.5 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188050 | 19560 | 0 | None | -7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 326 | 5 | 0 | 3 | 4.5 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL534944 | 19560 | 0 | None | -7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 326 | 5 | 0 | 3 | 4.5 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 11705395 | 22824 | 0 | None | -19 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223749 | 22824 | 0 | None | -19 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.6 | Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl | 10.1016/j.bmcl.2010.07.096 | ||
| 135398745 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | ||
| 47 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | ||
| CHEMBL715 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | ||
| DB00334 | 9688 | 112 | None | -39 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm401958n | ||
| 197033 | 205931 | 64 | None | -7 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 3 | 0 | 3 | 3.9 | Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
| CHEMBL589390 | 205931 | 64 | None | -7 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 319 | 3 | 0 | 3 | 3.9 | Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1 | 10.1016/j.bmcl.2009.11.037 | ||
| 76315668 | 92110 | 0 | None | 36 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261347 | 92110 | 0 | None | 36 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 155555859 | 183006 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4551941 | 183006 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4594653 | 183006 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 118716711 | 121783 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342864 | 121783 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 68712 | 107114 | 60 | None | -8 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL289480 | 107114 | 60 | None | -8 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| 10326069 | 46070 | 1 | None | 23 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| CHEMBL147077 | 46070 | 1 | None | 23 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 3.3 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980506g | ||
| 73346334 | 99316 | 0 | None | -6 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432048 | 99316 | 0 | None | -6 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| 44431560 | 152356 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL391530 | 152356 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | ||
| 44288816 | 162090 | 0 | None | 17 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL40303 | 162090 | 0 | None | 17 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 3038603 | 108642 | 8 | None | -48 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 335 | 1 | 0 | 1 | 5.4 | CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| CHEMBL300647 | 108642 | 8 | None | -48 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 335 | 1 | 0 | 1 | 5.4 | CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| 14378574 | 115364 | 0 | None | -24 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | ||
| CHEMBL320397 | 115364 | 0 | None | -24 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | ||
| 10923927 | 210957 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| CHEMBL70740 | 210957 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 279 | 3 | 2 | 5 | 0.8 | O=S1(=O)CCCc2cccc(NCC3=NCCN3)c21 | 10.1021/jm000542r | ||
| 19968568 | 92114 | 0 | None | 2 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261353 | 92114 | 0 | None | 2 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 118717458 | 121918 | 0 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343980 | 121918 | 0 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 118717458 | 121918 | 0 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343980 | 121918 | 0 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 44295170 | 108599 | 0 | None | 19 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL300272 | 108599 | 0 | None | 19 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | ||
| 10622206 | 108869 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
| CHEMBL302192 | 108869 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | ||
| 11211017 | 205013 | 0 | None | -43 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | ||
| CHEMBL57546 | 205013 | 0 | None | -43 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
| 9 | 7482 | 28 | None | -288 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | ||
| 16785637 | 188356 | 80 | None | -11 | 2 | Bovine | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 206 | 2 | 2 | 4 | -0.4 | NC(=O)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL47688 | 188356 | 80 | None | -11 | 2 | Bovine | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 206 | 2 | 2 | 4 | -0.4 | NC(=O)c1cccnc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 5282322 | 85019 | 21 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 785 | 11 | 4 | 15 | 2.4 | CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O | nan | ||
| CHEMBL2106399 | 85019 | 21 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 785 | 11 | 4 | 15 | 2.4 | CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O | nan | ||
| 11091738 | 124870 | 0 | None | -1 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 4.9 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1 | 10.1021/jm0211220 | ||
| CHEMBL340641 | 124870 | 0 | None | -1 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 4.9 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2cn1 | 10.1021/jm0211220 | ||
| 10792347 | 128784 | 0 | None | 8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 3.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL359375 | 128784 | 0 | None | 8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 9 | 3 | 6 | 3.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 52937630 | 68080 | 0 | None | -199 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| CHEMBL1767140 | 68080 | 0 | None | -199 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.2 | CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O | 10.1021/jm1013874 | ||
| 24803638 | 68104 | 0 | None | -199 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 636 | 15 | 0 | 7 | 7.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767165 | 68104 | 0 | None | -199 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 636 | 15 | 0 | 7 | 7.1 | COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| 53328873 | 70178 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796049 | 70178 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 9864325 | 108515 | 1 | None | -758 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | ||
| CHEMBL299691 | 108515 | 1 | None | -758 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | ||
| 14378574 | 115364 | 0 | None | -24 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL320397 | 115364 | 0 | None | -24 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1016/j.bmcl.2004.11.032 | ||
| 11440979 | 204439 | 0 | None | -8 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| CHEMBL57098 | 204439 | 0 | None | -8 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1 | 10.1021/jm030944+ | ||
| 127036953 | 144293 | 0 | None | -63 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| CHEMBL3754166 | 144293 | 0 | None | -63 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | ||
| 10571609 | 213476 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 376 | 6 | 0 | 4 | 3.4 | Clc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| CHEMBL89677 | 213476 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 376 | 6 | 0 | 4 | 3.4 | Clc1cccc(N2CCN(CCCCN3CC4CCCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| 10594858 | 172434 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 6 | 0 | 4 | 3.0 | Clc1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| CHEMBL424432 | 172434 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 6 | 0 | 4 | 3.0 | Clc1cccc(N2CCN(CCCCN3CC4CCCN4C3)CC2)c1 | 10.1021/jm970216k | ||
| 3565378 | 185596 | 8 | None | -26 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 6 | 0 | 4 | 3.0 | O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| CHEMBL46918 | 185596 | 8 | None | -26 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 6 | 0 | 4 | 3.0 | O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| 44361064 | 38389 | 0 | None | -23 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
| CHEMBL140450 | 38389 | 0 | None | -23 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
| 127025278 | 144492 | 0 | None | -33 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 9 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3758913 | 144492 | 0 | None | -33 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 9 | 1 | 4 | 3.7 | COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 11994673 | 19088 | 0 | None | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1185036 | 19088 | 0 | None | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL385371 | 19088 | 0 | None | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 71449516 | 91379 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153552 | 91379 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221146 | 91379 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 11079593 | 210894 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70326 | 210894 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10454026 | 24679 | 0 | None | -2041 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.5 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0211220 | ||
| CHEMBL125916 | 24679 | 0 | None | -2041 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.5 | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 | 10.1021/jm0211220 | ||
| 49800167 | 24453 | 0 | None | -1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258457 | 24453 | 0 | None | -1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 53328507 | 70170 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796041 | 70170 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 11554490 | 22825 | 0 | None | -67 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223750 | 22825 | 0 | None | -67 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 9909471 | 203685 | 0 | None | -21 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL56620 | 203685 | 0 | None | -21 | 4 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 3039881 | 181036 | 10 | None | -19 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 1 | 0 | 1 | 5.0 | CN(C)C1C=CC2(CC1)c1ccccc1CCc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| CHEMBL45491 | 181036 | 10 | None | -19 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 1 | 0 | 1 | 5.0 | CN(C)C1C=CC2(CC1)c1ccccc1CCc1ccc(Cl)cc12 | 10.1021/jm00109a026 | ||
| 11651319 | 188407 | 27 | None | -17 | 2 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cnccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| CHEMBL47740 | 188407 | 27 | None | -17 | 2 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1cnccc1N1CCNCC1 | 10.1021/jm00366a007 | ||
| 118717457 | 121915 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343978 | 121915 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 11857861 | 92451 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| CHEMBL228606 | 92451 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | ||
| 11857861 | 92451 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228606 | 92451 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 44275526 | 105642 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | ||
| CHEMBL27899 | 105642 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | ||
| 118717457 | 121915 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343978 | 121915 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | ||
| 9884513 | 19799 | 0 | None | -43 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1189871 | 19799 | 0 | None | -43 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL539601 | 19799 | 0 | None | -43 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.05.002 | ||
| 11338630 | 16429 | 0 | None | -6 | 3 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | ||
| CHEMBL112814 | 16429 | 0 | None | -6 | 3 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | ||
| 53328504 | 70167 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796038 | 70167 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 101876962 | 121916 | 0 | None | 5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343979 | 121916 | 0 | None | 5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| 11857794 | 92434 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL228496 | 92434 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | ||
| 57390115 | 76071 | 0 | None | -1 | 5 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 3.4 | CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928120 | 76071 | 0 | None | -1 | 5 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 3.4 | CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmc.2011.10.063 | ||
| 10841190 | 113819 | 0 | None | 28 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
| CHEMBL315538 | 113819 | 0 | None | 28 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | ||
| 10841190 | 92048 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 5.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260150 | 92048 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 5.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1007/s00044-004-0120-9 | ||
| 44126269 | 208263 | 5 | None | -18 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 318 | 3 | 0 | 2 | 4.5 | Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1 | 10.1016/j.bmcl.2009.11.037 | ||
| CHEMBL605081 | 208263 | 5 | None | -18 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 318 | 3 | 0 | 2 | 4.5 | Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1 | 10.1016/j.bmcl.2009.11.037 | ||
| 90645594 | 119263 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| CHEMBL3298747 | 119263 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | ||
| 145962478 | 169028 | 0 | None | -13 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| CHEMBL4163587 | 169028 | 0 | None | -13 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | ||
| 2470 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | ||
| 3300 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | ||
| 5265 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | ||
| 99 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | ||
| CHEMBL267930 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm00018a001 | ||
| 155526629 | 183177 | 0 | None | -14 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4458714 | 183177 | 0 | None | -14 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595984 | 183177 | 0 | None | -14 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | ||
| 21712258 | 176042 | 0 | None | 194 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL44124 | 176042 | 0 | None | 194 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 21712258 | 176042 | 0 | None | 194 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL44124 | 176042 | 0 | None | 194 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 44288815 | 108231 | 0 | None | 87 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL297667 | 108231 | 0 | None | 87 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 101876962 | 121916 | 0 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343979 | 121916 | 0 | None | 5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| 44288392 | 107145 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| CHEMBL289758 | 107145 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | ||
| 44431555 | 95938 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL236618 | 95938 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10841819 | 125532 | 0 | None | 346 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL341838 | 125532 | 0 | None | 346 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 44289112 | 171676 | 0 | None | 75 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL42220 | 171676 | 0 | None | 75 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 8459 | 10071 | 4 | None | -7 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | ||
| 9891980 | 10071 | 4 | None | -7 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | ||
| CHEMBL430717 | 10071 | 4 | None | -7 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm9805337 | ||
| 10793504 | 48514 | 0 | None | 436 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 3.2 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | ||
| CHEMBL149263 | 48514 | 0 | None | 436 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 3.2 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1021/jm980506g | ||
| 10721049 | 50496 | 0 | None | 245 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 7 | 2.8 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL151045 | 50496 | 0 | None | 245 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 7 | 2.8 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(O)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 10743111 | 205474 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL58105 | 205474 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10793504 | 48514 | 0 | None | 436 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 3.2 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL149263 | 48514 | 0 | None | 436 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 3.2 | CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc3c(c2)OCO3)CC1 | 10.1007/s00044-004-0120-9 | ||
| 10606659 | 107310 | 0 | None | 7 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
| CHEMBL291305 | 107310 | 0 | None | 7 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
| 2470 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 3300 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 5265 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 99 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL267930 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2004.11.032 | ||
| 10721730 | 44267 | 0 | None | 245 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| CHEMBL145571 | 44267 | 0 | None | 245 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | ||
| 76326030 | 91596 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234446 | 91596 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL5286701 | 201408 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 482 | 10 | 1 | 6 | 3.3 | COCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315483 | 201408 | 0 | None | -12 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 482 | 10 | 1 | 6 | 3.3 | COCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1021/acsmedchemlett.7b00112 | ||
| 76326030 | 91596 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234446 | 91596 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 5 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2CO[C@H](c3cccc4ccccc34)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11619713 | 79592 | 0 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | ||
| CHEMBL200136 | 79592 | 0 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | ||
| 52947088 | 23882 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1255003 | 23882 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 118716713 | 121785 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342866 | 121785 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 118716719 | 121791 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342872 | 121791 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 10572794 | 213893 | 0 | None | - | 1 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 7 | 1 | 5 | 3.0 | Cc1cccc(C)c1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL92109 | 213893 | 0 | None | - | 1 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 7 | 1 | 5 | 3.0 | Cc1cccc(C)c1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 44213730 | 202435 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| CHEMBL55645 | 202435 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | ||
| 11234230 | 108478 | 0 | None | -128 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL299454 | 108478 | 0 | None | -128 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11234230 | 108478 | 0 | None | -128 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL299454 | 108478 | 0 | None | -128 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 44292196 | 186785 | 2 | None | -5 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 287 | 3 | 0 | 3 | 3.1 | Clc1cccnc1N1CCN(Cc2ccccc2)CC1 | 10.1021/jm00366a007 | ||
| CHEMBL47471 | 186785 | 2 | None | -5 | 2 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 287 | 3 | 0 | 3 | 3.1 | Clc1cccnc1N1CCN(Cc2ccccc2)CC1 | 10.1021/jm00366a007 | ||
| 541604 | 172118 | 10 | None | 72 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | ||
| CHEMBL42359 | 172118 | 10 | None | 72 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm00118a019 | ||
| 130442572 | 178687 | 0 | None | -147 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4469848 | 178687 | 0 | None | -147 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 9796594 | 16145 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1ccc(O)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111372 | 16145 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1ccc(O)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 11196451 | 174844 | 0 | None | -1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 268 | 5 | 2 | 3 | 1.7 | CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1 | 10.1021/jm030551a | ||
| CHEMBL432451 | 174844 | 0 | None | -1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 268 | 5 | 2 | 3 | 1.7 | CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1 | 10.1021/jm030551a | ||
| 76326540 | 92113 | 0 | None | -1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261352 | 92113 | 0 | None | -1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 44331079 | 11090 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL100878 | 11090 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| 24829343 | 165800 | 0 | None | -89 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 7 | 1 | 3 | 5.1 | CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 | 10.1021/jm070279v | ||
| CHEMBL409662 | 165800 | 0 | None | -89 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 7 | 1 | 3 | 5.1 | CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 | 10.1021/jm070279v | ||
| 415628 | 214971 | 95 | None | -60 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00110a014 | ||
| CHEMBL9841 | 214971 | 95 | None | -60 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00110a014 | ||
| 2771 | 201796 | 74 | None | -8 | 27 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL1200781 | 201796 | 74 | None | -8 | 27 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL549 | 201796 | 74 | None | -8 | 27 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| 11633992 | 22873 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.8 | FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223859 | 22873 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.8 | FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1 | 10.1016/j.bmcl.2010.07.096 | ||
| 44289058 | 172124 | 0 | None | 16 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL42361 | 172124 | 0 | None | 16 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 4384568 | 169882 | 8 | None | -7 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 438 | 6 | 0 | 4 | 3.4 | O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| CHEMBL417709 | 169882 | 8 | None | -7 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 438 | 6 | 0 | 4 | 3.4 | O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| 10713438 | 113808 | 0 | None | -4 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 358 | 7 | 0 | 5 | 2.3 | COc1ccccc1N1CCN(CCCCN2CC3CCCN3C2)CC1 | 10.1021/jm970216k | ||
| CHEMBL315472 | 113808 | 0 | None | -4 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 358 | 7 | 0 | 5 | 2.3 | COc1ccccc1N1CCN(CCCCN2CC3CCCN3C2)CC1 | 10.1021/jm970216k | ||
| 21302490 | 119582 | 32 | None | -10 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | ||
| CHEMBL3233142 | 119582 | 32 | None | -10 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | ||
| CHEMBL3306803 | 119582 | 32 | None | -10 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | ||
| DB06077 | 119582 | 32 | None | -10 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | 10.1021/jm401958n | ||
| 44309199 | 210830 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 355 | 6 | 3 | 4 | 2.7 | Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(01)00392-4 | ||
| CHEMBL69967 | 210830 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 355 | 6 | 3 | 4 | 2.7 | Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(01)00392-4 | ||
| 10473406 | 210999 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 355 | 6 | 3 | 4 | 2.7 | Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(01)00392-4 | ||
| CHEMBL70918 | 210999 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 355 | 6 | 3 | 4 | 2.7 | Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(01)00392-4 | ||
| 118717462 | 121922 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343984 | 121922 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| 9913449 | 113229 | 1 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL313990 | 113229 | 1 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 16041090 | 102168 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256853 | 102168 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | ||
| 56649649 | 74632 | 0 | None | -87 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| CHEMBL1910140 | 74632 | 0 | None | -87 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | ||
| 44288741 | 175626 | 0 | None | 45 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL43799 | 175626 | 0 | None | 45 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | ||
| 44288741 | 175626 | 0 | None | 45 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL43799 | 175626 | 0 | None | 45 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 76333282 | 91606 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 405 | 8 | 1 | 5 | 4.0 | COc1ccccc1OCCNC1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234456 | 91606 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 405 | 8 | 1 | 5 | 4.0 | COc1ccccc1OCCNC1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1007/s00044-010-9379-1 | ||
| 118717462 | 121922 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| CHEMBL3343984 | 121922 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | ||
| 44568917 | 194134 | 0 | None | -9 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
| CHEMBL493283 | 194134 | 0 | None | -9 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
| 52945071 | 24415 | 0 | None | -1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258344 | 24415 | 0 | None | -1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 44288857 | 175562 | 0 | None | 43 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL43749 | 175562 | 0 | None | 43 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | ||
| 49862238 | 21780 | 16 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 6 | 0 | 5 | 3.6 | COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 | 10.1016/j.bmcl.2010.06.033 | ||
| CHEMBL1209158 | 21780 | 16 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 6 | 0 | 5 | 3.6 | COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 | 10.1016/j.bmcl.2010.06.033 | ||
| 44301680 | 108747 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 7 | 0 | 5 | 5.8 | Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL301416 | 108747 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 7 | 0 | 5 | 5.8 | Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 10688604 | 31524 | 0 | None | -4 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| CHEMBL134428 | 31524 | 0 | None | -4 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| 9929277 | 107755 | 0 | None | -23 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL294235 | 107755 | 0 | None | -23 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 456387 | 107533 | 5 | None | -6 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)c[nH]3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | ||
| CHEMBL292801 | 107533 | 5 | None | -6 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 2 | 3 | 1 | 5.5 | Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)c[nH]3)c[nH]c2c1 | 10.1016/0960-894X(96)00376-9 | ||
| 44271701 | 72287 | 0 | None | - | 1 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 192 | 1 | 0 | 2 | 1.9 | CN1CC=C(c2ccncc2F)CC1 | 10.1021/jm00375a017 | ||
| CHEMBL18306 | 72287 | 0 | None | - | 1 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 192 | 1 | 0 | 2 | 1.9 | CN1CC=C(c2ccncc2F)CC1 | 10.1021/jm00375a017 | ||
| 145946265 | 174293 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 10 | 0 | 4 | 3.9 | Cc1cc(C)c(OCCOCCN2CCN(CCc3ccccc3)CC2)c(C)c1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4203310 | 174293 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 10 | 0 | 4 | 3.9 | Cc1cc(C)c(OCCOCCN2CCN(CCc3ccccc3)CC2)c(C)c1 | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4299892 | 174293 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 10 | 0 | 4 | 3.9 | Cc1cc(C)c(OCCOCCN2CCN(CCc3ccccc3)CC2)c(C)c1 | 10.1016/j.bmcl.2018.04.059 | ||
| 10221005 | 211101 | 0 | None | 4 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL71479 | 211101 | 0 | None | 4 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 76330198 | 92111 | 0 | None | 2 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL2261348 | 92111 | 0 | None | 2 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | ||
| 1547484 | 7727 | 74 | None | -125 | 20 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 7727 | 74 | None | -125 | 20 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 7727 | 74 | None | -125 | 20 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 7727 | 74 | None | -125 | 20 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 7727 | 74 | None | -125 | 20 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 10873978 | 175265 | 0 | None | -1 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 5.1 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1 | 10.1021/jm0211220 | ||
| CHEMBL435218 | 175265 | 0 | None | -1 | 5 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 5.1 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1 | 10.1021/jm0211220 | ||
| 11698643 | 10402 | 11 | None | -15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 4 | 6.0 | O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2 | 10.1016/j.bmcl.2006.05.025 | ||
| 6125 | 10402 | 11 | None | -15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 4 | 6.0 | O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2 | 10.1016/j.bmcl.2006.05.025 | ||
| CHEMBL209497 | 10402 | 11 | None | -15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 479 | 6 | 0 | 4 | 6.0 | O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2 | 10.1016/j.bmcl.2006.05.025 | ||
| 53248361 | 68856 | 0 | None | -50 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | ||
| CHEMBL1774991 | 68856 | 0 | None | -50 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | ||
| 2105 | 9828 | 37 | None | -288 | 32 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 47811 | 9828 | 37 | None | -288 | 32 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 48 | 9828 | 37 | None | -288 | 32 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| CHEMBL531 | 9828 | 37 | None | -288 | 32 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| DB01186 | 9828 | 37 | None | -288 | 32 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | ||
| 9867138 | 202571 | 0 | None | -48 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | ||
| CHEMBL55790 | 202571 | 0 | None | -48 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | ||
| 448537 | 167029 | 89 | None | -1584 | 25 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 167029 | 89 | None | -1584 | 25 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 12134985 | 211657 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 438 | 7 | 1 | 7 | 2.7 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nc(N)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL75808 | 211657 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 438 | 7 | 1 | 7 | 2.7 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nc(N)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL5276489 | 201422 | 0 | None | -70 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.4 | O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCCC1 | 10.1021/acsmedchemlett.7b00112 | ||
| CHEMBL5315725 | 201422 | 0 | None | -70 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.4 | O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCCC1 | 10.1021/acsmedchemlett.7b00112 | ||
| 10314056 | 214929 | 1 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL98167 | 214929 | 1 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | ||
| 9923051 | 115446 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 2.9 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]c(C)n1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL320765 | 115446 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 2.9 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]c(C)n1 | 10.1007/s00044-004-0020-z | ||
| 52937629 | 68078 | 0 | None | -158 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 3.5 | CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767139 | 68078 | 0 | None | -158 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 3.5 | CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 | 10.1021/jm1013874 | ||
| 11288646 | 15446 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 268 | 4 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc2c1CCCC2CN | 10.1021/jm030551a | ||
| CHEMBL109553 | 15446 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 268 | 4 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc2c1CCCC2CN | 10.1021/jm030551a | ||
| 9923051 | 115446 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 2.9 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]c(C)n1 | 10.1021/jm030551a | ||
| CHEMBL320765 | 115446 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 2.9 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]c(C)n1 | 10.1021/jm030551a | ||
| 10626686 | 211098 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| CHEMBL71473 | 211098 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | ||
| 44331150 | 11202 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL101579 | 11202 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | ||
| 9847419 | 214973 | 0 | None | 14 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
| CHEMBL98430 | 214973 | 0 | None | 14 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | ||
| 10507129 | 128751 | 0 | None | 9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | ||
| CHEMBL359173 | 128751 | 0 | None | 9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | ||
| 9867616 | 175105 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 1 | 8 | 2.2 | COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| CHEMBL434228 | 175105 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 1 | 8 | 2.2 | COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC | 10.1021/jm9805337 | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | ||
| 4149971 | 173411 | 7 | None | -1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 386 | 7 | 0 | 5 | 2.0 | COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| CHEMBL42810 | 173411 | 7 | None | -1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 386 | 7 | 0 | 5 | 2.0 | COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| 44300166 | 203132 | 0 | None | 15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| CHEMBL56248 | 203132 | 0 | None | 15 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | ||
| 44420408 | 148536 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| CHEMBL386005 | 148536 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | ||
| 10320782 | 106753 | 0 | None | 4 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| CHEMBL286565 | 106753 | 0 | None | 4 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | ||
| 10811627 | 212329 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL538529 | 212329 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL81093 | 212329 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 44268966 | 40211 | 0 | None | -6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL14199 | 40211 | 0 | None | -6 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 11857861 | 201559 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| CHEMBL538397 | 201559 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | ||
| 118716698 | 121770 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342852 | 121770 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 4165402 | 185547 | 8 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 7 | 0 | 5 | 2.4 | COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| CHEMBL46881 | 185547 | 8 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 7 | 0 | 5 | 2.4 | COc1ccccc1N1CCN(CCCCN2C(=O)C3CCCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| 9887378 | 105181 | 4 | None | 40 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL275469 | 105181 | 4 | None | 40 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 10790430 | 91594 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.5 | COc1cccc(OC)c1OCCNC[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234444 | 91594 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.5 | COc1cccc(OC)c1OCCNC[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1 | 10.1007/s00044-010-9379-1 | ||
| 44431562 | 96058 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL236832 | 96058 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | ||
| 10651080 | 112719 | 0 | None | 23 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| CHEMBL312871 | 112719 | 0 | None | 23 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | ||
| 10531532 | 213873 | 0 | None | 8 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| CHEMBL91956 | 213873 | 0 | None | 8 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | ||
| 10531532 | 92068 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 5.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL2260371 | 92068 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 5.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-004-0120-9 | ||
| 10651080 | 112719 | 0 | None | 23 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL312871 | 112719 | 0 | None | 23 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1007/s00044-004-0120-9 | ||
| 10790430 | 91594 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.5 | COc1cccc(OC)c1OCCNC[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234444 | 91594 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.5 | COc1cccc(OC)c1OCCNC[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1 | 10.1007/s00044-010-9379-1 | ||
| 44288841 | 107916 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| CHEMBL295304 | 107916 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | ||
| 57393627 | 76082 | 0 | None | 11 | 5 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1101 | 42 | 2 | 17 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928131 | 76082 | 0 | None | 11 | 5 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1101 | 42 | 2 | 17 | 5.4 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 | 10.1016/j.bmc.2011.10.063 | ||
| 10507651 | 213286 | 0 | None | 42 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| CHEMBL88388 | 213286 | 0 | None | 42 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | ||
| 10507651 | 213286 | 0 | None | 42 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1007/s00044-004-0120-9 | ||
| CHEMBL88388 | 213286 | 0 | None | 42 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1007/s00044-004-0120-9 | ||
| 4038180 | 6992 | 14 | None | 2 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 480 | 6992 | 14 | None | 2 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL109783 | 6992 | 14 | None | 2 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 118716716 | 121788 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342869 | 121788 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 73350823 | 109307 | 0 | None | -5 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2424668 | 109307 | 0 | None | -5 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL3040578 | 109307 | 0 | None | -5 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 13141186 | 137469 | 0 | None | 7 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 0 | 0 | 2 | 4.2 | CN1CCC(=C2c3cc(Cl)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| CHEMBL368357 | 137469 | 0 | None | 7 | 2 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 312 | 0 | 0 | 2 | 4.2 | CN1CCC(=C2c3cc(Cl)ccc3CCn3cccc32)CC1 | 10.1021/jm00361a008 | ||
| 10622156 | 206847 | 0 | None | 1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
| CHEMBL59575 | 206847 | 0 | None | 1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | ||
| 2771431 | 195061 | 52 | None | -1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.8 | Clc1cnc(N2CCNCC2)c(Cl)c1 | 10.1021/jm00366a007 | ||
| CHEMBL50016 | 195061 | 52 | None | -1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.8 | Clc1cnc(N2CCNCC2)c(Cl)c1 | 10.1021/jm00366a007 | ||
| 13938357 | 108507 | 0 | None | -79 | 2 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
| CHEMBL299595 | 108507 | 0 | None | -79 | 2 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 1.7 | CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO | 10.1021/jm00150a002 | ||
| 127025277 | 144629 | 0 | None | -44 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 376 | 7 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL3760063 | 144629 | 0 | None | -44 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 376 | 7 | 1 | 5 | 1.6 | COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 11801861 | 125566 | 0 | None | 181 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| CHEMBL342064 | 125566 | 0 | None | 181 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | ||
| 44222842 | 201871 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| CHEMBL549764 | 201871 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| 10367857 | 24884 | 0 | None | -21379 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 478 | 7 | 2 | 3 | 5.5 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1 | 10.1021/jm0211220 | ||
| CHEMBL126889 | 24884 | 0 | None | -21379 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 478 | 7 | 2 | 3 | 5.5 | O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1 | 10.1021/jm0211220 | ||
| 10199335 | 211526 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL74467 | 211526 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10764133 | 91347 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153560 | 91347 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220899 | 91347 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 44318000 | 212176 | 0 | None | 51 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL80036 | 212176 | 0 | None | 51 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | ||
| 16041091 | 101996 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| CHEMBL256041 | 101996 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | ||
| 44267817 | 170029 | 0 | None | 53 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL418531 | 170029 | 0 | None | 53 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 44593557 | 190697 | 11 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| CHEMBL481322 | 190697 | 11 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 262 | 3 | 1 | 2 | 3.3 | COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1 | 10.1016/j.bmcl.2008.10.066 | ||
| 155513941 | 183057 | 0 | None | -53 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4439658 | 183057 | 0 | None | -53 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595078 | 183057 | 0 | None | -53 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 9880254 | 16073 | 0 | None | 43 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 323 | 4 | 2 | 3 | 2.8 | CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL110975 | 16073 | 0 | None | 43 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 323 | 4 | 2 | 3 | 2.8 | CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 10739024 | 76608 | 0 | None | -33 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| CHEMBL19376 | 76608 | 0 | None | -33 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | ||
| 11049096 | 17968 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1178700 | 17968 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL37962 | 17968 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 11049096 | 17968 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL1178700 | 17968 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL37962 | 17968 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 8 | 0 | 4 | 4.3 | CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-010-9379-1 | ||
| 11334596 | 16192 | 1 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 1.9 | CC(c1cccc(NS(C)(=O)=O)c1)c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL111682 | 16192 | 1 | None | -1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 1.9 | CC(c1cccc(NS(C)(=O)=O)c1)c1c[nH]cn1 | 10.1021/jm030551a | ||
| 9922027 | 122188 | 0 | None | 1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL3350265 | 122188 | 0 | None | 1 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 71062708 | 161085 | 0 | None | -47 | 12 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL3986651 | 161085 | 0 | None | -47 | 12 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 2520 | 210787 | 70 | None | -147 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1280 | 210787 | 70 | None | -147 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL6966 | 210787 | 70 | None | -147 | 12 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 10479323 | 41467 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | ||
| CHEMBL143026 | 41467 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | ||
| 10479323 | 41467 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL143026 | 41467 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1007/s00044-010-9379-1 | ||
| 46882088 | 12599 | 0 | None | -11 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1079066 | 12599 | 0 | None | -11 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | ||
| 3198 | 212292 | 76 | None | -1698 | 34 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 212292 | 76 | None | -1698 | 34 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 212292 | 76 | None | -1698 | 34 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 44318075 | 212145 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.7 | O=C1CCCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| CHEMBL79817 | 212145 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.7 | O=C1CCCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | ||
| 122187556 | 129836 | 0 | None | -7 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCn4cccc4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| CHEMBL3609355 | 129836 | 0 | None | -7 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCn4cccc4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2015.07.046 | ||
| 9844321 | 107638 | 0 | None | -478 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL293539 | 107638 | 0 | None | -478 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 42 | 8844 | 57 | None | -15 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | ||
| 56971 | 8844 | 57 | None | -15 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | ||
| CHEMBL8412 | 8844 | 57 | None | -15 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | ||
| 9844321 | 107638 | 0 | None | -478 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL293539 | 107638 | 0 | None | -478 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1007/s00044-010-9379-1 | ||
| 11994915 | 18604 | 0 | None | -1 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182145 | 18604 | 0 | None | -1 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214762 | 18604 | 0 | None | -1 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 25132566 | 194102 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
| CHEMBL493041 | 194102 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | ||
| 11234230 | 108478 | 0 | None | -162 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL299454 | 108478 | 0 | None | -162 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 49783419 | 24521 | 0 | None | -263 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258671 | 24521 | 0 | None | -263 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 366 | 6 | 1 | 6 | 2.8 | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 130442480 | 182049 | 0 | None | -107 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4572614 | 182049 | 0 | None | -107 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| 46915370 | 61741 | 0 | None | -1 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | ||
| CHEMBL1241328 | 61741 | 0 | None | -1 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | ||
| CHEMBL1615596 | 61741 | 0 | None | -1 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | ||
| 12134987 | 211767 | 0 | None | 16 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 2.8 | CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL76643 | 211767 | 0 | None | 16 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 2.8 | CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| 155565219 | 183344 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4580335 | 183344 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4597359 | 183344 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | ||
| 44568918 | 194135 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
| CHEMBL493284 | 194135 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | ||
| 68712 | 107114 | 60 | None | -8 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL289480 | 107114 | 60 | None | -8 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | 10.1016/0960-894X(94)85032-1 | ||
| 2351 | 10059 | 64 | None | -138 | 21 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 10059 | 64 | None | -138 | 21 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 10059 | 64 | None | -138 | 21 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 10059 | 64 | None | -138 | 21 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 10059 | 64 | None | -138 | 21 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 1016 | 10519 | 78 | None | -1737 | 35 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 10519 | 78 | None | -1737 | 35 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 10519 | 78 | None | -1737 | 35 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 10519 | 78 | None | -1737 | 35 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 10519 | 78 | None | -1737 | 35 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 10519 | 78 | None | -1737 | 35 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 44316072 | 211795 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| CHEMBL76867 | 211795 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | ||
| 11567620 | 22848 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 4.9 | Fc1ccccc1N1CCN(CCCCNc2cc(-c3ccccc3)ccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| CHEMBL1223802 | 22848 | 0 | None | -5 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 4.9 | Fc1ccccc1N1CCN(CCCCNc2cc(-c3ccccc3)ccn2)CC1 | 10.1016/j.bmcl.2010.07.096 | ||
| 57395340 | 76075 | 0 | None | 1 | 5 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 469 | 14 | 1 | 6 | 3.6 | CCOCCOCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928124 | 76075 | 0 | None | 1 | 5 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 469 | 14 | 1 | 6 | 3.6 | CCOCCOCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmc.2011.10.063 | ||
| 10095156 | 85318 | 0 | None | 1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL2112073 | 85318 | 0 | None | 1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10698907 | 127809 | 0 | None | 602 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 605 | 12 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| CHEMBL356623 | 127809 | 0 | None | 602 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 605 | 12 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980506g | ||
| 44295133 | 195507 | 0 | None | 13 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
| CHEMBL50490 | 195507 | 0 | None | 13 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | ||
| 71817710 | 109184 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL2419770 | 109184 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| CHEMBL3039705 | 109184 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | ||
| 10430193 | 168377 | 0 | None | -60 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129461 | 168377 | 0 | None | -60 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 3038495 | 7495 | 37 | None | -6 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2015.12.068 | ||
| 7625 | 7495 | 37 | None | -6 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL25236 | 7495 | 37 | None | -6 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2015.12.068 | ||
| 1588 | 9105 | 27 | None | -26 | 44 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 9105 | 27 | None | -26 | 44 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 9105 | 27 | None | -26 | 44 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 9105 | 27 | None | -26 | 44 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 9105 | 27 | None | -26 | 44 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 10582624 | 209571 | 0 | None | -1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| CHEMBL62206 | 209571 | 0 | None | -1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | ||
| 10530732 | 174830 | 0 | None | -1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL43234 | 174830 | 0 | None | -1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 9887378 | 105181 | 4 | None | 40 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| CHEMBL275469 | 105181 | 4 | None | 40 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.11.032 | ||
| 11995034 | 18605 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182148 | 18605 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214952 | 18605 | 0 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 44388495 | 70198 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 5 | 3 | 3 | 3.4 | Nc1ccc(C(=O)NCCN2CCC(c3cccc4[nH]ccc34)CC2)cc1 | 10.1021/jm0491804 | ||
| CHEMBL179721 | 70198 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 5 | 3 | 3 | 3.4 | Nc1ccc(C(=O)NCCN2CCC(c3cccc4[nH]ccc34)CC2)cc1 | 10.1021/jm0491804 | ||
| 1212 | 8443 | 50 | None | -19 | 65 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 8443 | 50 | None | -19 | 65 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 8443 | 50 | None | -19 | 65 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 8443 | 50 | None | -19 | 65 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 8443 | 50 | None | -19 | 65 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 44268966 | 40211 | 0 | None | -7 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| CHEMBL14199 | 40211 | 0 | None | -7 | 6 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | ||
| 10644152 | 107171 | 7 | None | 1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 6 | 0 | 4 | 2.7 | O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm970216k | ||
| CHEMBL290039 | 107171 | 7 | None | 1 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 6 | 0 | 4 | 2.7 | O=C1C2CCCN2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm970216k | ||
| 44431546 | 94916 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| CHEMBL234679 | 94916 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | ||
| 57391897 | 76084 | 0 | None | 1 | 5 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 481 | 12 | 1 | 8 | 2.7 | CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| CHEMBL1928133 | 76084 | 0 | None | 1 | 5 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 481 | 12 | 1 | 8 | 2.7 | CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1 | 10.1016/j.bmc.2011.10.063 | ||
| 44301573 | 209576 | 0 | None | 154 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| CHEMBL62249 | 209576 | 0 | None | 154 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | ||
| 53327992 | 70179 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796050 | 70179 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 52948823 | 23829 | 0 | None | -8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| CHEMBL1254659 | 23829 | 0 | None | -8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | ||
| 118716702 | 121773 | 0 | None | 5 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL3342855 | 121773 | 0 | None | 5 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 4110501 | 175873 | 8 | None | -2 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 386 | 6 | 0 | 5 | 2.0 | COc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| CHEMBL43992 | 175873 | 8 | None | -2 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 386 | 6 | 0 | 5 | 2.0 | COc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1 | 10.1021/jm970216k | ||
| 9805944 | 63001 | 37 | None | -16 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
| CHEMBL1627 | 63001 | 37 | None | -16 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
| 2247 | 7293 | 81 | None | -5 | 42 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 7293 | 81 | None | -5 | 42 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 7293 | 81 | None | -5 | 42 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 7293 | 81 | None | -5 | 42 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 7293 | 81 | None | -5 | 42 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 44461012 | 111050 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL309949 | 111050 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 9913449 | 113229 | 1 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| CHEMBL313990 | 113229 | 1 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | ||
| 5019971 | 180050 | 4 | None | -15 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 424 | 5 | 0 | 4 | 3.0 | O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| CHEMBL45253 | 180050 | 4 | None | -15 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 424 | 5 | 0 | 4 | 3.0 | O=C1C2CCCCN2C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm970216k | ||
| 3805301 | 108114 | 83 | None | 1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
| CHEMBL296787 | 108114 | 83 | None | 1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 197 | 1 | 1 | 3 | 1.1 | Clc1ccc(N2CCNCC2)nc1 | 10.1021/jm00366a007 | ||
| 44414189 | 19586 | 0 | None | -12 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 342 | 5 | 1 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL1188266 | 19586 | 0 | None | -12 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 342 | 5 | 1 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | ||
| CHEMBL535838 | 19586 | 0 | None | -12 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 342 | 5 | 1 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.05.002 | ||
| 71061709 | 156306 | 0 | None | -63 | 12 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| CHEMBL3946540 | 156306 | 0 | None | -63 | 12 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | ||
| 3658 | 10879 | 53 | None | -9 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1016/j.bmcl.2004.06.085 | ||
| 517 | 10879 | 53 | None | -9 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1016/j.bmcl.2004.06.085 | ||
| 5709 | 10879 | 53 | None | -9 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1016/j.bmcl.2004.06.085 | ||
| CHEMBL312448 | 10879 | 53 | None | -9 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1016/j.bmcl.2004.06.085 | ||
| DB06694 | 10879 | 53 | None | -9 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 10.1016/j.bmcl.2004.06.085 | ||
| 44269078 | 105373 | 7 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.3 | CC(C)(C)c1ccc(C2=NCCN2)cc1 | 10.1016/j.bmcl.2004.06.085 | ||
| CHEMBL276868 | 105373 | 7 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 202 | 1 | 1 | 2 | 2.3 | CC(C)(C)c1ccc(C2=NCCN2)cc1 | 10.1016/j.bmcl.2004.06.085 | ||
| 135 | 9310 | 43 | None | -46 | 56 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 9310 | 43 | None | -46 | 56 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 9310 | 43 | None | -46 | 56 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 9310 | 43 | None | -46 | 56 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 9310 | 43 | None | -46 | 56 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 44123711 | 91598 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234448 | 91598 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1007/s00044-010-9379-1 | ||
| 9900133 | 15757 | 0 | None | 1 | 4 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL109827 | 15757 | 0 | None | 1 | 4 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 46881443 | 12362 | 0 | None | -34 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | ||
| CHEMBL1077168 | 12362 | 0 | None | -34 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | ||
| 44123711 | 91598 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| CHEMBL2234448 | 91598 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | ||
| 44123711 | 91598 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
| CHEMBL2234448 | 91598 | 0 | None | -17 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 346 | 4 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | ||
| 11449200 | 85236 | 0 | None | 20 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL2111710 | 85236 | 0 | None | 20 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 9906677 | 107822 | 0 | None | -11 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| CHEMBL294646 | 107822 | 0 | None | -11 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | ||
| 44312198 | 211368 | 0 | None | -3 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL73164 | 211368 | 0 | None | -3 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 292 | 1 | 1 | 5 | 2.2 | Brc1c(NC2=NCCO2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 145947560 | 174487 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 344 | 6 | 0 | 3 | 4.2 | Cc1cc(OCCCN2CCN(c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4212812 | 174487 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 344 | 6 | 0 | 3 | 4.2 | Cc1cc(OCCCN2CCN(c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2018.04.059 | ||
| CHEMBL4302457 | 174487 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 344 | 6 | 0 | 3 | 4.2 | Cc1cc(OCCCN2CCN(c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2018.04.059 | ||
| 2146 | 9874 | 67 | None | 1 | 9 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 485 | 9874 | 67 | None | 1 | 9 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 6041 | 9874 | 67 | None | 1 | 9 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| CHEMBL1215 | 9874 | 67 | None | 1 | 9 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| DB00388 | 9874 | 67 | None | 1 | 9 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 9965896 | 117151 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 293 | 4 | 2 | 4 | 1.8 | CCS(=O)(=O)Nc1cccc2c1COC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL324238 | 117151 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 293 | 4 | 2 | 4 | 1.8 | CCS(=O)(=O)Nc1cccc2c1COC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 136 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| 223 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| 643606 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| CHEMBL10347 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00366a007 | ||
| 136 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| 223 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| 643606 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| CHEMBL10347 | 10065 | 32 | None | -1479 | 16 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00375a017 | ||
| 9929936 | 174691 | 0 | None | -9 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL431354 | 174691 | 0 | None | -9 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| 76318763 | 91599 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccoc1)C3 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL2234449 | 91599 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccoc1)C3 | 10.1007/s00044-010-9379-1 | ||
| 11338016 | 42750 | 0 | None | -7 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
| CHEMBL144286 | 42750 | 0 | None | -7 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | ||
| 9929936 | 174691 | 0 | None | -9 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| CHEMBL431354 | 174691 | 0 | None | -9 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1007/s00044-010-9379-1 | ||
| 9926529 | 16161 | 2 | None | 1 | 5 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL111496 | 16161 | 2 | None | 1 | 5 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | ||
| 44361064 | 38389 | 0 | None | -3 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
| CHEMBL140450 | 38389 | 0 | None | -3 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | ||
| 53328687 | 70176 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796047 | 70176 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 10804826 | 30387 | 2 | None | 1 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL133451 | 30387 | 2 | None | 1 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 10065903 | 29074 | 0 | None | -257 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| CHEMBL132378 | 29074 | 0 | None | -257 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | ||
| 44276536 | 104144 | 0 | None | -1584 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 8 | 1 | 4 | 3.3 | COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| CHEMBL26962 | 104144 | 0 | None | -1584 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 8 | 1 | 4 | 3.3 | COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1 | 10.1016/j.bmcl.2015.12.068 | ||
| 10382537 | 210945 | 12 | None | -144 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| CHEMBL70676 | 210945 | 12 | None | -144 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | ||
| 11488170 | 42004 | 0 | None | -24 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
| CHEMBL143558 | 42004 | 0 | None | -24 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | ||
| 2146 | 9874 | 67 | None | -12 | 9 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 485 | 9874 | 67 | None | -12 | 9 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 6041 | 9874 | 67 | None | -12 | 9 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| CHEMBL1215 | 9874 | 67 | None | -12 | 9 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| DB00388 | 9874 | 67 | None | -12 | 9 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 2803 | 7742 | 58 | None | -8 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 516 | 7742 | 58 | None | -8 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 704 | 7742 | 58 | None | -8 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| CHEMBL134 | 7742 | 58 | None | -8 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| DB00575 | 7742 | 58 | None | -8 | 19 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 10.1016/0960-894X(94)85032-1 | ||
| 155544514 | 183134 | 0 | None | -309 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4526865 | 183134 | 0 | None | -309 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| CHEMBL4595671 | 183134 | 0 | None | -309 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | ||
| 9944937 | 118115 | 0 | None | 1 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 320 | 4 | 2 | 3 | 2.1 | CN(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| CHEMBL326862 | 118115 | 0 | None | 1 | 2 | Bovine | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 320 | 4 | 2 | 3 | 2.1 | CN(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | ||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | ||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | ||
| 118718431 | 122132 | 0 | None | 11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| CHEMBL3349545 | 122132 | 0 | None | 11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | ||
| 44267912 | 23655 | 0 | None | 102 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| CHEMBL12501 | 23655 | 0 | None | 102 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | ||
| 277 | 8083 | 62 | None | -117 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 8083 | 62 | None | -117 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 8083 | 62 | None | -117 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 8083 | 62 | None | -117 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 8083 | 62 | None | -117 | 50 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 10673466 | 168543 | 0 | None | -3 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| CHEMBL41396 | 168543 | 0 | None | -3 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | ||
| 10297 | 33885 | 30 | None | -37 | 43 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | ||
| CHEMBL136560 | 33885 | 30 | None | -37 | 43 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | ||
| 25070031 | 72159 | 18 | None | -4897 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 2.7 | C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1 | 10.1021/jm200401v | ||
| CHEMBL1829335 | 72159 | 18 | None | -4897 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 2.7 | C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1 | 10.1021/jm200401v | ||
| 2477 | 7532 | 59 | None | - | 29 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 36 | 7532 | 59 | None | - | 29 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 437 | 7532 | 59 | None | - | 29 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| CHEMBL49 | 7532 | 59 | None | - | 29 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| DB00490 | 7532 | 59 | None | - | 29 | Bovine | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 1816 | 9318 | 102 | None | - | 18 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 4205 | 9318 | 102 | None | - | 18 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 7241 | 9318 | 102 | None | - | 18 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| CHEMBL654 | 9318 | 102 | None | - | 18 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| DB00370 | 9318 | 102 | None | - | 18 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | ||
| 9952220 | 105032 | 6 | None | - | 3 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 387 | 6 | 2 | 4 | 3.8 | CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl | None | ||
| CHEMBL274491 | 105032 | 6 | None | - | 3 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 387 | 6 | 2 | 4 | 3.8 | CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl | None | ||
| 135 | 9310 | 43 | None | -40 | 56 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 9310 | 43 | None | -40 | 56 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 9310 | 43 | None | -40 | 56 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 9310 | 43 | None | -40 | 56 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 9310 | 43 | None | -40 | 56 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 135398737 | 7745 | 93 | None | - | 90 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 7745 | 93 | None | - | 90 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 7745 | 93 | None | - | 90 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 7745 | 93 | None | - | 90 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 7745 | 93 | None | - | 90 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 5656 | 209845 | 87 | None | - | 43 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 209845 | 87 | None | - | 43 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 125017 | 16223 | 99 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 263 | 4 | 2 | 3 | 2.7 | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 | None | ||
| CHEMBL1118 | 16223 | 99 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 263 | 4 | 2 | 3 | 2.7 | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 | None | ||
| 1353 | 8692 | 93 | None | - | 85 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 8692 | 93 | None | - | 85 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 8692 | 93 | None | - | 85 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 8692 | 93 | None | - | 85 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 8692 | 93 | None | - | 85 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 2435 | 10362 | 83 | None | - | 48 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 10362 | 83 | None | - | 48 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 10362 | 83 | None | - | 48 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 10362 | 83 | None | - | 48 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 10362 | 83 | None | - | 48 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 1427 | 8794 | 54 | None | - | 27 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 8794 | 54 | None | - | 27 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 8794 | 54 | None | - | 27 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 8794 | 54 | None | - | 27 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 8794 | 54 | None | - | 27 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 102 | 10899 | 48 | None | -346 | 49 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 10899 | 48 | None | -346 | 49 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 10899 | 48 | None | -346 | 49 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 10899 | 48 | None | -346 | 49 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 10899 | 48 | None | -346 | 49 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 2803 | 7742 | 58 | None | -3 | 19 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 7742 | 58 | None | -3 | 19 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 7742 | 58 | None | -3 | 19 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 7742 | 58 | None | -3 | 19 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 7742 | 58 | None | -3 | 19 | Rat | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 1353 | 8692 | 93 | None | -10 | 85 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 8692 | 93 | None | -10 | 85 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 8692 | 93 | None | -10 | 85 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 8692 | 93 | None | -10 | 85 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 4106 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5358812 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 89 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| CHEMBL93240 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| None | 222737 | 0 | 3H-PRAZOSIN | -5 | 19 | Pig | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 4209 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4106 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5358812 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 89 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| CHEMBL93240 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 2389 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| None | 222737 | 0 | 3H-PRAZOSIN | -5 | 19 | Pig | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 4209 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 9937 | 75 | 3H-PRAZOSIN | -1 | 33 | Pig | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 489 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| 5640 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| CHEMBL420060 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| 489 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| 5640 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| CHEMBL420060 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| 2389 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 463 | 8187 | 22 | None | 5 | 13 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 6918097 | 8187 | 22 | None | 5 | 13 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 837 | 8187 | 22 | None | 5 | 13 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL2051956 | 8187 | 22 | None | 5 | 13 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| DB14068 | 8187 | 22 | None | 5 | 13 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4151 | 10379 | 89 | None | 33 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| 493 | 10379 | 89 | None | 33 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| 5312125 | 10379 | 89 | None | 33 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| CHEMBL24778 | 10379 | 89 | None | 33 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| DB06207 | 10379 | 89 | None | 33 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | ||
| 129211 | 10521 | 78 | None | -2 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 2562 | 10521 | 78 | None | -2 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 488 | 10521 | 78 | None | -2 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| CHEMBL836 | 10521 | 78 | None | -2 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| DB00706 | 10521 | 78 | None | -2 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 484 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 2470 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 100 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2389 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 10104 | 118 | 3H-PRAZOSIN | -5 | 66 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 100 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| None | 222737 | 0 | 3H-PRAZOSIN | -5 | 19 | Pig | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | ||
| 2726 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 124 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| None | 223020 | 0 | 3H-PRAZOSIN | -2 | 3 | Pig | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | ||
| 126225 | 101751 | 5 | 3H-PRAZOSIN | -41 | 7 | Pig | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | ||
| CHEMBL25467 | 101751 | 5 | 3H-PRAZOSIN | -41 | 7 | Pig | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | ||
| None | 223020 | 0 | 3H-PRAZOSIN | -2 | 3 | Pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | ||
| 135398737 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 489 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| 5640 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| CHEMBL420060 | 6933 | 28 | 3H-PRAZOSIN | -8 | 12 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | ||
| 124 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 9755 | 47 | 3H-PRAZOSIN | -36 | 32 | Pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| None | 223020 | 0 | 3H-PRAZOSIN | -2 | 3 | Pig | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | ||
| 100 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 10577 | 58 | 3H-PRAZOSIN | -20 | 54 | Pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1028 | 7079 | 71 | 3H-PRAZOSIN | -741 | 30 | Pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 7079 | 71 | 3H-PRAZOSIN | -741 | 30 | Pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 7079 | 71 | 3H-PRAZOSIN | -741 | 30 | Pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 7079 | 71 | 3H-PRAZOSIN | -741 | 30 | Pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 7079 | 71 | 3H-PRAZOSIN | -741 | 30 | Pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 7079 | 71 | 3H-PRAZOSIN | -741 | 30 | Pig | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 3016 | 8194 | 48 | None | 46 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | ||
| 3364 | 8194 | 48 | None | 46 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | ||
| 852 | 8194 | 48 | None | 46 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | ||
| CHEMBL12 | 8194 | 48 | None | 46 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | ||
| DB00829 | 8194 | 48 | None | 46 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | ||
| 4508 | 9913 | 98 | None | 1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 4866774 | 9913 | 98 | None | 1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 509 | 9913 | 98 | None | 1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 838 | 9913 | 98 | None | 1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1740 | 9913 | 98 | None | 1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| DB11124 | 9913 | 98 | None | 1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 2470 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 68712 | 107114 | 60 | None | -8 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
| CHEMBL289480 | 107114 | 60 | None | -8 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 3 | 1 | 3 | 1.2 | C1COC(NC(C2CC2)C2CC2)=N1 | None | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 2695 | 10613 | 81 | None | 9 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 5504 | 10613 | 81 | None | 9 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 7310 | 10613 | 81 | None | 9 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| CHEMBL770 | 10613 | 81 | None | 9 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| DB00797 | 10613 | 81 | None | 9 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 160 | 2 | 1 | 2 | 1.2 | c1ccc(cc1)CC1=NCCN1 | None | ||
| 2435 | 7509 | 100 | None | -21 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 395 | 7509 | 100 | None | -21 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 520 | 7509 | 100 | None | -21 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 5386 | 7509 | 100 | None | -21 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| CHEMBL844 | 7509 | 100 | None | -21 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| DB00484 | 7509 | 100 | None | -21 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | ||
| 1830 | 9368 | 44 | None | 1 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 207 | 9368 | 44 | None | 1 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 23897 | 9368 | 44 | None | 1 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| CHEMBL460 | 9368 | 44 | None | 1 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| DB01618 | 9368 | 44 | None | 1 | 28 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 2162 | 48288 | 100 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
| CHEMBL1491 | 48288 | 100 | None | -3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | ||
| 446220 | 140299 | 14 | None | 19 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 140299 | 14 | None | 19 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 1028 | 7079 | 71 | None | -48 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 7079 | 71 | None | -48 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 7079 | 71 | None | -48 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 7079 | 71 | None | -48 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 7079 | 71 | None | -48 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 7079 | 71 | None | -48 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 126225 | 101751 | 5 | 3H-PRAZOSIN | -41 | 7 | Pig | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | ||
| CHEMBL25467 | 101751 | 5 | 3H-PRAZOSIN | -41 | 7 | Pig | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | ||
| 484 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 2146 | 9874 | 67 | None | 1 | 9 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 485 | 9874 | 67 | None | 1 | 9 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 6041 | 9874 | 67 | None | 1 | 9 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| CHEMBL1215 | 9874 | 67 | None | 1 | 9 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| DB00388 | 9874 | 67 | None | 1 | 9 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 2202 | 9906 | 96 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 9906 | 96 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 9906 | 96 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 9906 | 96 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 9906 | 96 | None | -2 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 135398737 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1960 | 9632 | 67 | None | -10 | 26 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 9632 | 67 | None | -10 | 26 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 9632 | 67 | None | -10 | 26 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 9632 | 67 | None | -10 | 26 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 9632 | 67 | None | -10 | 26 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5284550 | 48495 | 15 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | ||
| CHEMBL1492500 | 48495 | 15 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | ||
| 2477 | 7532 | 59 | None | 1 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 36 | 7532 | 59 | None | 1 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 437 | 7532 | 59 | None | 1 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| CHEMBL49 | 7532 | 59 | None | 1 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| DB00490 | 7532 | 59 | None | 1 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | ||
| 37 | 7565 | 60 | None | -18 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 460 | 7565 | 60 | None | -18 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 54746 | 7565 | 60 | None | -18 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| CHEMBL1201087 | 7565 | 60 | None | -18 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| DB00248 | 7565 | 60 | None | -18 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | ||
| 66265 | 100788 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL248702 | 100788 | 15 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 3151 | 8244 | 97 | None | -8 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 945 | 8244 | 97 | None | -8 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 965 | 8244 | 97 | None | -8 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| CHEMBL219916 | 8244 | 97 | None | -8 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| DB01184 | 8244 | 97 | None | -8 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | ||
| 16362 | 9899 | 71 | None | -35 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 2172 | 9899 | 71 | None | -35 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 90 | 9899 | 71 | None | -35 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| CHEMBL1423 | 9899 | 71 | None | -35 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| DB01100 | 9899 | 71 | None | -35 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | ||
| 15387 | 52596 | 55 | None | 1 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL1531134 | 52596 | 55 | None | 1 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| 68617 | 212306 | 62 | None | 3 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 212306 | 62 | None | 3 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 212306 | 62 | None | 3 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 2470 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 10425 | 50 | 3H-PRAZOSIN | -478 | 58 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 126225 | 101751 | 5 | 3H-PRAZOSIN | -41 | 7 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | ||
| CHEMBL25467 | 101751 | 5 | 3H-PRAZOSIN | -41 | 7 | Pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | None | ||
| 135398737 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 7745 | 93 | 3H-PRAZOSIN | -9 | 90 | Pig | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 484 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 9633 | 51 | 3H-PRAZOSIN | -67 | 35 | Pig | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 2995 | 211184 | 53 | None | 3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 211184 | 53 | None | 3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 211184 | 53 | None | 3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| DB01151 | 211184 | 53 | None | 3 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 3947 | 213174 | 53 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| CHEMBL87708 | 213174 | 53 | None | -1 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| 3658 | 10879 | 53 | None | -9 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 517 | 10879 | 53 | None | -9 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 5709 | 10879 | 53 | None | -9 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| CHEMBL312448 | 10879 | 53 | None | -9 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| DB06694 | 10879 | 53 | None | -9 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | None | ||
| 2448 | 106099 | 70 | None | -5 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL28218 | 106099 | 70 | None | -5 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| DB12401 | 106099 | 70 | None | -5 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| 21302490 | 119582 | 32 | None | -10 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | ||
| CHEMBL3233142 | 119582 | 32 | None | -10 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | ||
| CHEMBL3306803 | 119582 | 32 | None | -10 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | ||
| DB06077 | 119582 | 32 | None | -10 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 393 | 5 | 0 | 4 | 3.9 | CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 | None | ||
| 242 | 7258 | 124 | None | -14 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 7258 | 124 | None | -14 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 7258 | 124 | None | -14 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 7258 | 124 | None | -14 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 7258 | 124 | None | -14 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 125564 | 7453 | 97 | None | -12 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| 388 | 7453 | 97 | None | -12 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| 7670 | 7453 | 97 | None | -12 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| CHEMBL178803 | 7453 | 97 | None | -12 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| DB09223 | 7453 | 97 | None | -12 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| 1971 | 9641 | 38 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2404 | 9641 | 38 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 4543 | 9641 | 38 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| CHEMBL445 | 9641 | 38 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| DB00540 | 9641 | 38 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2267 | 7347 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 271 | 7347 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 7121 | 7347 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| CHEMBL639 | 7347 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| DB00972 | 7347 | 71 | None | -15 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 2267 | 7347 | 71 | None | -15 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 271 | 7347 | 71 | None | -15 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 7121 | 7347 | 71 | None | -15 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| CHEMBL639 | 7347 | 71 | None | -15 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| DB00972 | 7347 | 71 | None | -15 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 135 | 9310 | 43 | None | -9 | 56 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 9310 | 43 | None | -9 | 56 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 9310 | 43 | None | -9 | 56 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 9310 | 43 | None | -9 | 56 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 9310 | 43 | None | -9 | 56 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 277 | 8083 | 62 | None | -20 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 8083 | 62 | None | -20 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 8083 | 62 | None | -20 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 8083 | 62 | None | -20 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 8083 | 62 | None | -20 | 50 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 3294 | 8787 | 111 | None | -10 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 8787 | 111 | None | -10 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 8787 | 111 | None | -10 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 8787 | 111 | None | -10 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 8787 | 111 | None | -10 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1613 | 9127 | 53 | None | -2 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 9127 | 53 | None | -2 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 9127 | 53 | None | -2 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 9127 | 53 | None | -2 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 9127 | 53 | None | -2 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 240 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 2769 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 44279790 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 660 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL1729 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL560739 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| DB00604 | 7731 | 43 | None | -4 | 25 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 3584 | 10549 | 64 | None | -3 | 14 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 5401 | 10549 | 64 | None | -3 | 14 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 7302 | 10549 | 64 | None | -3 | 14 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| CHEMBL611 | 10549 | 64 | None | -3 | 14 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| DB01162 | 10549 | 64 | None | -3 | 14 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 2274 | 9947 | 58 | None | -3 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 9947 | 58 | None | -3 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 9947 | 58 | None | -3 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 9947 | 58 | None | -3 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 9947 | 58 | None | -3 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 214 | 10632 | 58 | None | -9 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2740 | 10632 | 58 | None | -9 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5566 | 10632 | 58 | None | -9 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 66064 | 10632 | 58 | None | -9 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL422 | 10632 | 58 | None | -9 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00831 | 10632 | 58 | None | -9 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 1225 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667468 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL101740 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 115 | 7131 | 71 | None | -2 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| 2092 | 7131 | 71 | None | -2 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| 7109 | 7131 | 71 | None | -2 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| CHEMBL709 | 7131 | 71 | None | -2 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| DB00346 | 7131 | 71 | None | -2 | 7 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 7745 | 93 | None | -5 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 7745 | 93 | None | -5 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398745 | 9688 | 112 | None | -39 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 9688 | 112 | None | -39 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 9688 | 112 | None | -39 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 9688 | 112 | None | -39 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1890 | 9535 | 49 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| 4449 | 9535 | 49 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| 7247 | 9535 | 49 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| CHEMBL623 | 9535 | 49 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| DB01149 | 9535 | 49 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| 2470 | 10425 | 50 | None | -316 | 58 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 10425 | 50 | None | -316 | 58 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 10425 | 50 | None | -316 | 58 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 10425 | 50 | None | -316 | 58 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 10425 | 50 | None | -316 | 58 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 124 | 9755 | 47 | None | -14 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 9755 | 47 | None | -14 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 9755 | 47 | None | -14 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 9755 | 47 | None | -14 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 9755 | 47 | None | -14 | 32 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2389 | 10104 | 118 | None | -6 | 66 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 10104 | 118 | None | -6 | 66 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 10104 | 118 | None | -6 | 66 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 10104 | 118 | None | -6 | 66 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 10104 | 118 | None | -6 | 66 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 1353 | 8692 | 93 | None | -6 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 8692 | 93 | None | -6 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 8692 | 93 | None | -6 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 8692 | 93 | None | -6 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 8692 | 93 | None | -6 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1443 | 8809 | 34 | None | -2 | 11 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 33625 | 8809 | 34 | None | -2 | 11 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 501 | 8809 | 34 | None | -2 | 11 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL279516 | 8809 | 34 | None | -2 | 11 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| DB08950 | 8809 | 34 | None | -2 | 11 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 212 | 10578 | 47 | None | -7 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 10578 | 47 | None | -7 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 10578 | 47 | None | -7 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 10578 | 47 | None | -7 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 10578 | 47 | None | -7 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2726 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 7706 | 68 | 3H-PRAZOSIN | -20 | 72 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 4106 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 5358812 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 89 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| CHEMBL93240 | 9280 | 22 | 3H-PRAZOSIN | -1 | 33 | Pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C | None | ||
| 209 | 9831 | 97 | None | -11 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2113 | 9831 | 97 | None | -11 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4748 | 9831 | 97 | None | -11 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL567 | 9831 | 97 | None | -11 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00850 | 9831 | 97 | None | -11 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2865 | 10915 | 73 | None | -14 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 10915 | 73 | None | -14 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 10915 | 73 | None | -14 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 10915 | 73 | None | -14 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 10915 | 73 | None | -14 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | ||
| 2470 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 10425 | 50 | None | -208 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2470 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3300 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 5265 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 99 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL267930 | 10425 | 50 | None | -398 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 103 | 10925 | 61 | None | -6 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 10925 | 61 | None | -6 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 10925 | 61 | None | -6 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 10925 | 61 | None | -6 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 10925 | 61 | None | -6 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2142 | 9870 | 58 | None | -1 | 37 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 9870 | 58 | None | -1 | 37 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 9870 | 58 | None | -1 | 37 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 9870 | 58 | None | -1 | 37 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 9870 | 58 | None | -1 | 37 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 9870 | 58 | None | -1 | 37 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 1212 | 8443 | 50 | None | -16 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 8443 | 50 | None | -16 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 8443 | 50 | None | -16 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 8443 | 50 | None | -16 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 8443 | 50 | None | -16 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 124 | 9755 | 47 | None | -13 | 32 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 9755 | 47 | None | -13 | 32 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 9755 | 47 | None | -13 | 32 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 9755 | 47 | None | -13 | 32 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 9755 | 47 | None | -13 | 32 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 3389 | 224490 | 0 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 463 | 8187 | 22 | None | -7 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 6918097 | 8187 | 22 | None | -7 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 837 | 8187 | 22 | None | -7 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL2051956 | 8187 | 22 | None | -7 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| DB14068 | 8187 | 22 | None | -7 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 1524 | 8962 | 96 | None | -5 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 197 | 8962 | 96 | None | -5 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 3822 | 8962 | 96 | None | -5 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 88 | 8962 | 96 | None | -5 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| CHEMBL51 | 8962 | 96 | None | -5 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| DB12465 | 8962 | 96 | None | -5 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2284 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 1588 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 31101 | 7516 | 40 | None | -12 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 7516 | 40 | None | -12 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 7516 | 40 | None | -12 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 7516 | 40 | None | -12 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 7516 | 40 | None | -12 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 11978813 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 5014 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 7672 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| CHEMBL2105760 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| DB09128 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 4418 | 40996 | 85 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
| CHEMBL142635 | 40996 | 85 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
| DB12092 | 40996 | 85 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
| 1443 | 8809 | 34 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 33625 | 8809 | 34 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 501 | 8809 | 34 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL279516 | 8809 | 34 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| DB08950 | 8809 | 34 | None | 1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | ||
| 102 | 10899 | 48 | None | -85 | 49 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 3659 | 10899 | 48 | None | -85 | 49 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 8969 | 10899 | 48 | None | -85 | 49 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| CHEMBL15245 | 10899 | 48 | None | -85 | 49 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| DB01392 | 10899 | 48 | None | -85 | 49 | Bovine | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | ||
| 2398 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 2801 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 701 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| CHEMBL415 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| DB01242 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 2601 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 115237 | 62359 | 119 | None | -36 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 62359 | 119 | None | -36 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| DB01267 | 62359 | 119 | None | -36 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 2585 | 7590 | 103 | None | -9 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 522 | 7590 | 103 | None | -9 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 551 | 7590 | 103 | None | -9 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| CHEMBL723 | 7590 | 103 | None | -9 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| DB01136 | 7590 | 103 | None | -9 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 5440 | 35497 | 37 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | None | ||
| CHEMBL1378 | 35497 | 37 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | None | ||
| DB00372 | 35497 | 37 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | None | ||
| 2435 | 10362 | 83 | None | -16 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 10362 | 83 | None | -16 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 10362 | 83 | None | -16 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 10362 | 83 | None | -16 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 10362 | 83 | None | -16 | 48 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 5639 | 105671 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | ||
| CHEMBL279229 | 105671 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | ||
| 3036780 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 46780481 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL504548 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| DB06216 | 114308 | 20 | None | -52 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | ||
| 1238 | 209953 | 24 | None | -3 | 16 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| CHEMBL64249 | 209953 | 24 | None | -3 | 16 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| 2865 | 10915 | 73 | None | -4 | 53 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 10915 | 73 | None | -4 | 53 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 10915 | 73 | None | -4 | 53 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 10915 | 73 | None | -4 | 53 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 10915 | 73 | None | -4 | 53 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 463 | 8187 | 22 | None | -8 | 13 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 6918097 | 8187 | 22 | None | -8 | 13 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 837 | 8187 | 22 | None | -8 | 13 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL2051956 | 8187 | 22 | None | -8 | 13 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| DB14068 | 8187 | 22 | None | -8 | 13 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | ||
| 2435 | 10362 | 83 | None | -3 | 48 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 10362 | 83 | None | -3 | 48 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 10362 | 83 | None | -3 | 48 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 10362 | 83 | None | -3 | 48 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 10362 | 83 | None | -3 | 48 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 503 | 9937 | 75 | None | -1 | 33 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Bovine | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | ||
| 129211 | 10521 | 78 | None | -7 | 16 | Bovine | 8.0 | pKi | = | 8 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 2562 | 10521 | 78 | None | -7 | 16 | Bovine | 8.0 | pKi | = | 8 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 488 | 10521 | 78 | None | -7 | 16 | Bovine | 8.0 | pKi | = | 8 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| CHEMBL836 | 10521 | 78 | None | -7 | 16 | Bovine | 8.0 | pKi | = | 8 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| DB00706 | 10521 | 78 | None | -7 | 16 | Bovine | 8.0 | pKi | = | 8 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | ||
| 4151 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 31285236 | ||
| 4151 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | ||
| 4151 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
| 493 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 31285236 | ||
| 493 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | ||
| 493 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
| 5312125 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 31285236 | ||
| 5312125 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | ||
| 5312125 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
| CHEMBL24778 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 31285236 | ||
| CHEMBL24778 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | ||
| CHEMBL24778 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
| DB06207 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 31285236 | ||
| DB06207 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | ||
| DB06207 | 10379 | 89 | None | 33 | 3 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10334511 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 31285236 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7815325 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9490024 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10334511 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 31285236 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7815325 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9490024 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10334511 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 31285236 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7815325 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9490024 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10334511 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 31285236 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7815325 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9490024 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10334511 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 31285236 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7815325 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | ||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9490024 | ||
| 4431 | 9506 | 25 | None | 1 | 12 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | ||
| 73 | 9506 | 25 | None | 1 | 12 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | ||
| CHEMBL8618 | 9506 | 25 | None | 1 | 12 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | ||
| 1753 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
| 1753 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| 1753 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| 1753 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 1753 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
| 1753 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7815325 | ||
| 483 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
| 483 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| 483 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| 483 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 483 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
| 483 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7815325 | ||
| 6082 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
| 6082 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| 6082 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| 6082 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 6082 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
| 6082 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7815325 | ||
| CHEMBL524 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
| CHEMBL524 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| CHEMBL524 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| CHEMBL524 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| CHEMBL524 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
| CHEMBL524 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7815325 | ||
| DB00723 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 10433504 | ||
| DB00723 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 20978120 | ||
| DB00723 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 28444738 | ||
| DB00723 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| DB00723 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | ||
| DB00723 | 9282 | 28 | None | -11 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7815325 | ||
| 247704 | 7078 | 31 | None | -10 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 4450 | 7078 | 31 | None | -10 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| CHEMBL42280 | 7078 | 31 | None | -10 | 5 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 507 | 10101 | 0 | None | -2511 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | None | None | None | None | 12824165 | ||||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10433504 | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| 2146 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10433504 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| 485 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10433504 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| 6041 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10433504 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| CHEMBL1215 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10433504 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 20978120 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 28444738 | ||
| DB00388 | 9874 | 67 | None | -2 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10433504 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 1960 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10433504 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 439260 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10433504 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 505 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10433504 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| CHEMBL1437 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10433504 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20978120 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 28444738 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| DB00368 | 9632 | 67 | None | -57 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 1028 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 1028 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 1028 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 1028 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 139148732 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 139148732 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 139148732 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 139148732 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 479 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 479 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 479 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 479 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 5816 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 5816 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| 5816 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| 5816 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| CHEMBL679 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL679 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| CHEMBL679 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| CHEMBL679 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| DB00668 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00668 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | ||
| DB00668 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7815325 | ||
| DB00668 | 7079 | 71 | None | -48 | 30 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | ||
| 481 | 9667 | 7 | None | 4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | ||
| 9838763 | 9667 | 7 | None | 4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | ||
| CHEMBL72958 | 9667 | 7 | None | 4 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | ||
| 2765 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| 2765 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 515 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| 515 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| CHEMBL13852 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| CHEMBL13852 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| DB09202 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 20978120 | ||
| DB09202 | 7730 | 19 | None | -10 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 11079 | 9510 | 63 | None | -22 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 3369 | 9510 | 63 | None | -22 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 4436 | 9510 | 63 | None | -22 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 5509 | 9510 | 63 | None | -22 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| CHEMBL761 | 9510 | 63 | None | -22 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| DB06711 | 9510 | 63 | None | -22 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 210 | 2 | 1 | 2 | 2.4 | C1CN=C(N1)Cc1cccc2c1cccc2 | 34355529 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | ||
| 2419 | 7482 | 28 | None | -288 | 11 | Rat | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
| 9 | 7482 | 28 | None | -288 | 11 | Rat | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
| CHEMBL13647 | 7482 | 28 | None | -288 | 11 | Rat | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | ||
| 5268 | 10428 | 40 | None | -251 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | ||
| 5268 | 10428 | 40 | None | -251 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 32608144 | ||
| 53 | 10428 | 40 | None | -251 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | ||
| 53 | 10428 | 40 | None | -251 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 32608144 | ||
| CHEMBL300555 | 10428 | 40 | None | -251 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | ||
| CHEMBL300555 | 10428 | 40 | None | -251 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 32608144 | ||
| 4038180 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 20978120 | ||
| 4038180 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 28444738 | ||
| 4038180 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| 4038180 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 7616455 | ||
| 4038180 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 9249248 | ||
| 480 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 20978120 | ||
| 480 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 28444738 | ||
| 480 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| 480 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 7616455 | ||
| 480 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 9249248 | ||
| CHEMBL109783 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 20978120 | ||
| CHEMBL109783 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 28444738 | ||
| CHEMBL109783 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 34355529 | ||
| CHEMBL109783 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 7616455 | ||
| CHEMBL109783 | 6992 | 14 | None | -6 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 9249248 | ||
| 1531 | 9046 | 69 | None | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| 3869 | 9046 | 69 | None | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| 7207 | 9046 | 69 | None | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| CHEMBL429 | 9046 | 69 | None | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| DB00598 | 9046 | 69 | None | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 34355529 | ||
| 216249 | 8087 | 51 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 317 | 5 | 2 | 5 | 1.4 | Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1 | 14678390 | ||
| 3469 | 8087 | 51 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 317 | 5 | 2 | 5 | 1.4 | Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1 | 14678390 | ||
| CHEMBL257978 | 8087 | 51 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 317 | 5 | 2 | 5 | 1.4 | Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1 | 14678390 | ||
| 10453764 | 8979 | 0 | None | -1 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | ||
| 8896 | 8979 | 0 | None | -1 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10433504 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7815325 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8564227 | ||
| 124 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10433504 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7815325 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8564227 | ||
| 2032 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10433504 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7815325 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8564227 | ||
| 4636 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10433504 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7815325 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8564227 | ||
| CHEMBL762 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10433504 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 20978120 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 28444738 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7815325 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8564227 | ||
| DB00935 | 9755 | 47 | None | -19 | 32 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 31285236 | ||
| 115 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 31285236 | ||
| 2092 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 31285236 | ||
| 7109 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 31285236 | ||
| CHEMBL709 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 31285236 | ||
| DB00346 | 7131 | 71 | None | -3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | ||
| 1588 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 1588 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 32608144 | ||
| 28864 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 28864 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 32608144 | ||
| 43 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 43 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 32608144 | ||
| CHEMBL157138 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| CHEMBL157138 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 32608144 | ||
| DB00589 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| DB00589 | 9105 | 27 | None | -23 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 32608144 | ||
| 2398 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 32608144 | ||
| 2801 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 32608144 | ||
| 701 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 32608144 | ||
| CHEMBL415 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 32608144 | ||
| DB01242 | 7741 | 62 | None | 1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 32608144 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 11331292 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 11331292 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 11331292 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 11331292 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 11331292 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 11331292 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
| 135398737 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
| 38 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
| 722 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
| CHEMBL42 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | ||
| DB00363 | 7745 | 93 | None | -5 | 90 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 32608144 | ||
| 180 | 7189 | 56 | None | -12 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 32608144 | ||
| 200 | 7189 | 56 | None | -12 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 32608144 | ||
| 2160 | 7189 | 56 | None | -12 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 32608144 | ||
| CHEMBL629 | 7189 | 56 | None | -12 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 32608144 | ||
| DB00321 | 7189 | 56 | None | -12 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 32608144 | ||
| 1971 | 9641 | 38 | None | -1 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 32608144 | ||
| 2404 | 9641 | 38 | None | -1 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 32608144 | ||
| 4543 | 9641 | 38 | None | -1 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 32608144 | ||
| CHEMBL445 | 9641 | 38 | None | -1 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 32608144 | ||
| DB00540 | 9641 | 38 | None | -1 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 32608144 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 31285236 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
| 3584 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 31285236 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
| 5401 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 31285236 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
| 7302 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 31285236 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
| CHEMBL611 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 31285236 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | ||
| DB01162 | 10549 | 64 | None | -2 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | ||
| 132266 | 8061 | 12 | None | -28 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | ||
| 132266 | 8061 | 12 | None | -28 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
| 486 | 8061 | 12 | None | -28 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | ||
| 486 | 8061 | 12 | None | -28 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
| CHEMBL423294 | 8061 | 12 | None | -28 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | ||
| CHEMBL423294 | 8061 | 12 | None | -28 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
| 2142 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
| 4920903 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
| 502 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
| 5775 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
| CHEMBL597 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | ||
| DB00692 | 9870 | 58 | None | -2 | 37 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | ||
| 2585 | 7590 | 103 | None | -9 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 32608144 | ||
| 522 | 7590 | 103 | None | -9 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 32608144 | ||
| 551 | 7590 | 103 | None | -9 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 32608144 | ||
| CHEMBL723 | 7590 | 103 | None | -9 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 32608144 | ||
| DB01136 | 7590 | 103 | None | -9 | 22 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 32608144 | ||
| 1443 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10334511 | ||
| 1443 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | ||
| 1443 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
| 33625 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10334511 | ||
| 33625 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | ||
| 33625 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
| 501 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10334511 | ||
| 501 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | ||
| 501 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
| CHEMBL279516 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10334511 | ||
| CHEMBL279516 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | ||
| CHEMBL279516 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
| DB08950 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10334511 | ||
| DB08950 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | ||
| DB08950 | 8809 | 34 | None | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
| 2389 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
| 5073 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
| 96 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
| CHEMBL85 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | ||
| DB00734 | 10104 | 118 | None | -11 | 66 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 32608144 | ||
| 490 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
| 9890547 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
| CHEMBL268758 | 6979 | 8 | None | -25 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
| 219050 | 10146 | 25 | None | -15 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| 52 | 10146 | 25 | None | -15 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| CHEMBL431367 | 10146 | 25 | None | -15 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | 12388666 | ||
| 13134 | 7488 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | O=C(CCC1=CC=C2C=C3C(C)=CC(C)=[N]3[B+3]([F-])([N-]21)[F-])N4CCN(CC4)C5=NC6=C(C=C(C(OC)=C6)OC)C(N)=N5 | 19572943 | ||||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10334511 | ||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 32608144 | ||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 8632751 | ||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | ||
| 3894573 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9490024 | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10334511 | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 32608144 | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 8632751 | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | ||
| 495 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9490024 | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10334511 | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 32608144 | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 8632751 | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | ||
| CHEMBL88272 | 10166 | 6 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9490024 | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 31285236 | ||
| 3157 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 31285236 | ||
| 7170 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 31285236 | ||
| 954 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 31285236 | ||
| CHEMBL707 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 31285236 | ||
| DB00590 | 8252 | 71 | None | -2 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | ||
| 497 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | ||
| 9872515 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | ||
| CHEMBL24777 | 10138 | 8 | None | 61 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 8764344 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9190863 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | ||
| 489 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9490024 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 8764344 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9190863 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | ||
| 5640 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9490024 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 8764344 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9190863 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | ||
| CHEMBL420060 | 6933 | 28 | None | -3 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9490024 | ||
| 498 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10812954 | ||
| 498 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | ||
| 498 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7752182 | ||
| 498 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9190863 | ||
| 5311437 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10812954 | ||
| 5311437 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | ||
| 5311437 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7752182 | ||
| 5311437 | 10403 | 0 | None | 2511 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9190863 | ||
| 178103275 | 10099 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 20015090 | ||||
| 178103275 | 10099 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 23935897 | ||||
| 6663 | 10099 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 20015090 | ||||
| 6663 | 10099 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 23935897 | ||||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10334511 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | ||
| 499 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9490024 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10334511 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | ||
| 5685 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9490024 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10334511 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | ||
| CHEMBL25554 | 10849 | 18 | None | 1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9490024 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10334511 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9490024 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10334511 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9490024 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10334511 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9490024 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10334511 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9490024 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10334511 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9490024 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10334511 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9490024 | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
| 487 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
| 60602 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
| CHEMBL405355 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | ||
| DB09239 | 10406 | 21 | None | -1 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | ||
| 3567002 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | ||
| 3567002 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | ||
| 7381 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | ||
| 7381 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | ||
| CHEMBL56331 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | ||
| CHEMBL56331 | 10160 | 9 | None | 58 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | ||
| 148842 | 10718 | 27 | None | 8 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | ||
| 496 | 10718 | 27 | None | 8 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | ||
| CHEMBL278865 | 10718 | 27 | None | 8 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | ||
| 499 | 10849 | 18 | None | -1 | 14 | Rat | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 11331292 | ||
| 499 | 10849 | 18 | None | -1 | 14 | Rat | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9384500 | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Rat | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 11331292 | ||
| 5685 | 10849 | 18 | None | -1 | 14 | Rat | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9384500 | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Rat | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 11331292 | ||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Rat | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9384500 | ||
| 444 | 213445 | 53 | None | 6 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 239 | 3 | 1 | 2 | 3.3 | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | None | ||
| CHEMBL894 | 213445 | 53 | None | 6 | 18 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 239 | 3 | 1 | 2 | 3.3 | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | None | ||
| 146570 | 50228 | 67 | None | 1 | 4 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1508 | 50228 | 67 | None | 1 | 4 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 228 | 7233 | 28 | None | -1 | 23 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 33 | 7233 | 28 | None | -1 | 23 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 6005 | 7233 | 28 | None | -1 | 23 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| CHEMBL53 | 7233 | 28 | None | -1 | 23 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| DB00714 | 7233 | 28 | None | -1 | 23 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | ||
| 1209 | 8439 | 75 | None | -1 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 8439 | 75 | None | -1 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 8439 | 75 | None | -1 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 8439 | 75 | None | -1 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 8439 | 75 | None | -1 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 2105 | 9828 | 37 | None | -2 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 9828 | 37 | None | -2 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 9828 | 37 | None | -2 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 9828 | 37 | None | -2 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 9828 | 37 | None | -2 | 32 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 2803 | 7742 | 58 | None | -8 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 516 | 7742 | 58 | None | -8 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 704 | 7742 | 58 | None | -8 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| CHEMBL134 | 7742 | 58 | None | -8 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| DB00575 | 7742 | 58 | None | -8 | 19 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | ||
| 3337 | 213146 | 27 | None | 13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 65801 | 213146 | 27 | None | 13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 66264 | 213146 | 27 | None | 13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 91452 | 213146 | 27 | None | 13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL87493 | 213146 | 27 | None | 13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| DB00574 | 213146 | 27 | None | 13 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 521 | 8186 | 69 | None | -16 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 5311068 | 8186 | 69 | None | -16 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 835 | 8186 | 69 | None | -16 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| CHEMBL778 | 8186 | 69 | None | -16 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| DB00633 | 8186 | 69 | None | -16 | 7 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | ||
| 2726 | 7706 | 68 | None | -5 | 72 | Human | 8.0 | pKi | None | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 7706 | 68 | None | -5 | 72 | Human | 8.0 | pKi | None | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 7706 | 68 | None | -5 | 72 | Human | 8.0 | pKi | None | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 7706 | 68 | None | -5 | 72 | Human | 8.0 | pKi | None | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 7706 | 68 | None | -5 | 72 | Human | 8.0 | pKi | None | 8.0 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2202 | 9906 | 96 | None | -2 | 21 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 4850 | 9906 | 96 | None | -2 | 21 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 49 | 9906 | 96 | None | -2 | 21 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| CHEMBL1371770 | 9906 | 96 | None | -2 | 21 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| DB12478 | 9906 | 96 | None | -2 | 21 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | 12388666 | ||
| 37 | 7565 | 60 | None | -18 | 17 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 460 | 7565 | 60 | None | -18 | 17 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 54746 | 7565 | 60 | None | -18 | 17 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| CHEMBL1201087 | 7565 | 60 | None | -18 | 17 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| DB00248 | 7565 | 60 | None | -18 | 17 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | 12388666 | ||
| 277 | 8083 | 62 | None | -20 | 50 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
| 2913 | 8083 | 62 | None | -20 | 50 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
| 765 | 8083 | 62 | None | -20 | 50 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
| CHEMBL516 | 8083 | 62 | None | -20 | 50 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
| DB00434 | 8083 | 62 | None | -20 | 50 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | ||
| 135 | 9310 | 43 | None | -40 | 56 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
| 1796 | 9310 | 43 | None | -40 | 56 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
| 4184 | 9310 | 43 | None | -40 | 56 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
| CHEMBL6437 | 9310 | 43 | None | -40 | 56 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
| DB06148 | 9310 | 43 | None | -40 | 56 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | ||
| 1524 | 8962 | 96 | None | -5 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
| 197 | 8962 | 96 | None | -5 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
| 3822 | 8962 | 96 | None | -5 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
| 88 | 8962 | 96 | None | -5 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
| CHEMBL51 | 8962 | 96 | None | -5 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
| DB12465 | 8962 | 96 | None | -5 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | ||
| 2470 | 10425 | 50 | None | -208 | 58 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
| 3300 | 10425 | 50 | None | -208 | 58 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
| 5265 | 10425 | 50 | None | -208 | 58 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
| 99 | 10425 | 50 | None | -208 | 58 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
| CHEMBL267930 | 10425 | 50 | None | -208 | 58 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | ||
| 491 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
| 9891167 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
| CHEMBL13856 | 6980 | 9 | None | -50 | 12 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
| 5074 | 10105 | 80 | None | -6 | 30 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
| 97 | 10105 | 80 | None | -6 | 30 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
| CHEMBL267777 | 10105 | 80 | None | -6 | 30 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
| DB12693 | 10105 | 80 | None | -6 | 30 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | ||
| 491 | 6980 | 9 | None | -44 | 12 | Rat | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
| 9891167 | 6980 | 9 | None | -44 | 12 | Rat | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
| CHEMBL13856 | 6980 | 9 | None | -44 | 12 | Rat | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | ||
| 2601 | 10552 | 33 | None | -5 | 21 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 443951 | 10552 | 33 | None | -5 | 21 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 56 | 10552 | 33 | None | -5 | 21 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| CHEMBL73151 | 10552 | 33 | None | -5 | 21 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| DB13399 | 10552 | 33 | None | -5 | 21 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | 12388666 | ||
| 490 | 6979 | 8 | None | -36 | 12 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
| 9890547 | 6979 | 8 | None | -36 | 12 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
| CHEMBL268758 | 6979 | 8 | None | -36 | 12 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | ||
| 489 | 6933 | 28 | None | -2 | 12 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11331292 | ||
| 5640 | 6933 | 28 | None | -2 | 12 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11331292 | ||
| CHEMBL420060 | 6933 | 28 | None | -2 | 12 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11331292 | ||
| 487 | 10406 | 21 | None | -4 | 12 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 11331292 | ||
| 60602 | 10406 | 21 | None | -4 | 12 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 11331292 | ||
| CHEMBL405355 | 10406 | 21 | None | -4 | 12 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 11331292 | ||
| DB09239 | 10406 | 21 | None | -4 | 12 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 11331292 | ||
| 4209 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 11331292 | ||
| 4893 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 11331292 | ||
| 503 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 11331292 | ||
| 5385 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 11331292 | ||
| CHEMBL2 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 11331292 | ||
| DB00457 | 9937 | 75 | None | -1 | 33 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 11331292 | ||