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 |
| 25209535 | 179373 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 570 | 7 | 1 | 8 | 4.5 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5C[C@H]6C[C@H]5CN6C)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL448975 | 179373 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 570 | 7 | 1 | 8 | 4.5 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5C[C@H]6C[C@H]5CN6C)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 25209192 | 182288 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 527 | 7 | 2 | 6 | 4.4 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm800962k | ||
| CHEMBL457789 | 182288 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 527 | 7 | 2 | 6 | 4.4 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm800962k | ||
| 25208898 | 187238 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 558 | 7 | 1 | 8 | 4.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCN(C)CC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL475282 | 187238 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 558 | 7 | 1 | 8 | 4.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCN(C)CC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 44581974 | 182483 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458220 | 182483 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 136036260 | 186823 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 623 | 7 | 2 | 7 | 5.9 | CC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL474761 | 186823 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 623 | 7 | 2 | 7 | 5.9 | CC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| 25208894 | 179393 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 564 | 6 | 2 | 7 | 5.1 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccc3ncccc3c2)cc1 | 10.1021/jm800962k | ||
| CHEMBL449189 | 179393 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 564 | 6 | 2 | 7 | 5.1 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccc3ncccc3c2)cc1 | 10.1021/jm800962k | ||
| 25209194 | 188413 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccsc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL477432 | 188413 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccsc2)cc1 | 10.1021/jm800962k | ||
| 25209050 | 188369 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 479 | 6 | 2 | 6 | 3.9 | Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL477008 | 188369 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 479 | 6 | 2 | 6 | 3.9 | Cc1c(Cn2ncc(N3CCNCC3)cc2=O)cccc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 59819672 | 141729 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 604 | 13 | 4 | 7 | 4.5 | CN(CCc1ccccn1)C(=O)c1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)n2[C@@H](CCCNC(=N)N)C(N)=O | nan | ||
| CHEMBL3719266 | 141729 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 604 | 13 | 4 | 7 | 4.5 | CN(CCc1ccccn1)C(=O)c1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)n2[C@@H](CCCNC(=N)N)C(N)=O | nan | ||
| 136036261 | 195531 | 0 | None | 10 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 632 | 9 | 3 | 6 | 7.1 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL505263 | 195531 | 0 | None | 10 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 632 | 9 | 3 | 6 | 7.1 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| 25208743 | 182286 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 438 | 5 | 2 | 7 | 2.3 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1 | 10.1021/jm800962k | ||
| CHEMBL457788 | 182286 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 438 | 5 | 2 | 7 | 2.3 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1 | 10.1021/jm800962k | ||
| 25209191 | 196320 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 455 | 5 | 2 | 6 | 3.1 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccccc1F | 10.1021/jm800962k | ||
| CHEMBL514267 | 196320 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 455 | 5 | 2 | 6 | 3.1 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccccc1F | 10.1021/jm800962k | ||
| 25209048 | 186562 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 558 | 8 | 2 | 8 | 4.4 | CNC1CCN(c2cnn(Cc3cccc(NC(=O)c4ccc(-c5ccc(OC)nc5)cc4)c3C)c(=O)c2Cl)C1 | 10.1021/jm800962k | ||
| CHEMBL474470 | 186562 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 558 | 8 | 2 | 8 | 4.4 | CNC1CCN(c2cnn(Cc3cccc(NC(=O)c4ccc(-c5ccc(OC)nc5)cc4)c3C)c(=O)c2Cl)C1 | 10.1021/jm800962k | ||
| 25209356 | 186564 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 544 | 7 | 2 | 8 | 4.0 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL474473 | 186564 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 544 | 7 | 2 | 8 | 4.0 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 59819658 | 140766 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 658 | 11 | 4 | 7 | 5.4 | Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc(-c3cccc(Oc5ccccc5)c3)n4[C@@H](CCCNC(=N)N)C(N)=O)CC2C)c1 | nan | ||
| CHEMBL3716029 | 140766 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 658 | 11 | 4 | 7 | 5.4 | Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc(-c3cccc(Oc5ccccc5)c3)n4[C@@H](CCCNC(=N)N)C(N)=O)CC2C)c1 | nan | ||
| 59819634 | 141244 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 648 | 11 | 4 | 7 | 4.9 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 | nan | ||
| CHEMBL3717645 | 141244 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 648 | 11 | 4 | 7 | 4.9 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 | nan | ||
| 136036258 | 195466 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 623 | 5 | 2 | 7 | 4.7 | CC(=O)NC1CCN(c2ccc3c(c2)-c2nc4cc(C(=O)N5CCN(c6ccc(F)cc6)CC5)ccc4n2[C@@H](C(C)C)C(=O)N3)C1 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL504032 | 195466 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 623 | 5 | 2 | 7 | 4.7 | CC(=O)NC1CCN(c2ccc3c(c2)-c2nc4cc(C(=O)N5CCN(c6ccc(F)cc6)CC5)ccc4n2[C@@H](C(C)C)C(=O)N3)C1 | 10.1016/j.bmcl.2009.01.085 | ||
| 25208742 | 181698 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.2 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCCCC1 | 10.1021/jm800962k | ||
| CHEMBL456481 | 181698 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.2 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCCCC1 | 10.1021/jm800962k | ||
| 25208744 | 196722 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 545 | 6 | 2 | 8 | 3.4 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2)CC1 | 10.1021/jm800962k | ||
| CHEMBL517029 | 196722 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 545 | 6 | 2 | 8 | 3.4 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2)CC1 | 10.1021/jm800962k | ||
| 25209355 | 179704 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 564 | 6 | 2 | 7 | 5.1 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1 | 10.1021/jm800962k | ||
| CHEMBL451657 | 179704 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 564 | 6 | 2 | 7 | 5.1 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1 | 10.1021/jm800962k | ||
| 25209047 | 188333 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 532 | 10 | 3 | 8 | 4.2 | CNCCNc1cnn(Cc2cccc(NC(=O)c3ccc(-c4ccc(OC)nc4)cc3)c2C)c(=O)c1Cl | 10.1021/jm800962k | ||
| CHEMBL476627 | 188333 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 532 | 10 | 3 | 8 | 4.2 | CNCCNc1cnn(Cc2cccc(NC(=O)c3ccc(-c4ccc(OC)nc4)cc3)c2C)c(=O)c1Cl | 10.1021/jm800962k | ||
| 136036262 | 185222 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 652 | 14 | 4 | 8 | 5.6 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCOCCOCCN)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL466116 | 185222 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 652 | 14 | 4 | 8 | 5.6 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCOCCOCCN)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| 136036237 | 195418 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 632 | 7 | 3 | 6 | 5.9 | CCC(C)[C@H]1C(=O)Nc2ccc(N3CCC(NC(C)=O)C3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL503202 | 195418 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 632 | 7 | 3 | 6 | 5.9 | CCC(C)[C@H]1C(=O)Nc2ccc(N3CCC(NC(C)=O)C3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| 25209704 | 195049 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 586 | 7 | 1 | 8 | 4.2 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCN(C(C)=O)CC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL499944 | 195049 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 586 | 7 | 1 | 8 | 4.2 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCN(C(C)=O)CC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 59819673 | 141253 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 590 | 13 | 5 | 7 | 4.2 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccccn3)ccc21 | nan | ||
| CHEMBL3717681 | 141253 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 590 | 13 | 5 | 7 | 4.2 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccccn3)ccc21 | nan | ||
| 25208895 | 186398 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 556 | 7 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 | 10.1021/jm800962k | ||
| CHEMBL474272 | 186398 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 556 | 7 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 | 10.1021/jm800962k | ||
| 44581973 | 182380 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458002 | 182380 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 25209354 | 188331 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(-c2ccsc2)c1 | 10.1021/jm800962k | ||
| CHEMBL476619 | 188331 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(-c2ccsc2)c1 | 10.1021/jm800962k | ||
| 25209357 | 186567 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 556 | 7 | 3 | 7 | 3.7 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1 | 10.1021/jm800962k | ||
| CHEMBL474474 | 186567 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 556 | 7 | 3 | 7 | 3.7 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1 | 10.1021/jm800962k | ||
| 25209536 | 179472 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 572 | 7 | 2 | 8 | 4.8 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CC(C)NC(C)C5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL450183 | 179472 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 572 | 7 | 2 | 8 | 4.8 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CC(C)NC(C)C5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 25209193 | 188412 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccs2)cc1 | 10.1021/jm800962k | ||
| CHEMBL477431 | 188412 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccs2)cc1 | 10.1021/jm800962k | ||
| 25209705 | 187839 | 28 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL475965 | 187839 | 28 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 135407930 | 195199 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 606 | 10 | 3 | 6 | 6.6 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL502132 | 195199 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 606 | 10 | 3 | 6 | 6.6 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| 135407979 | 195128 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 597 | 8 | 2 | 7 | 5.3 | CC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| CHEMBL501027 | 195128 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 597 | 8 | 2 | 7 | 5.3 | CC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 | 10.1016/j.bmcl.2009.01.085 | ||
| 25209537 | 195068 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 587 | 8 | 3 | 9 | 2.8 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNC(C(N)=O)C5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL500240 | 195068 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 587 | 8 | 3 | 9 | 2.8 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNC(C(N)=O)C5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL506128 | 220981 | 21 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.085 | ||||
| CHEMBL506884 | 220994 | 11 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800962k | ||||
| 25209534 | 187067 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 558 | 7 | 2 | 8 | 4.4 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| CHEMBL475077 | 187067 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 558 | 7 | 2 | 8 | 4.4 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCCNCC5)c(Cl)c4=O)c3C)cc2)cn1 | 10.1021/jm800962k | ||
| 25208745 | 188452 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(-c2cccs2)c1 | 10.1021/jm800962k | ||
| CHEMBL477643 | 188452 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 519 | 6 | 2 | 7 | 4.6 | Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccc(-c2cccs2)c1 | 10.1021/jm800962k | ||
| 44581972 | 182379 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458001 | 182379 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 46221497 | 142471 | 0 | None | -10 | 2 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1cccc(CO[C@@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| CHEMBL3729794 | 142471 | 0 | None | -10 | 2 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1cccc(CO[C@@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| 11539085 | 121930 | 16 | None | -1 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3343995 | 121930 | 16 | None | -1 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54581020 | 67797 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 10 | 1 | 7 | 4.1 | CCN(Cc1ccncc1Br)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762705 | 67797 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 10 | 1 | 7 | 4.1 | CCN(Cc1ccncc1Br)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 11641227 | 142569 | 0 | None | 3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730405 | 142569 | 0 | None | 3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11503486 | 142939 | 0 | None | -3 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3732603 | 142939 | 0 | None | -3 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11691090 | 142172 | 0 | None | -11 | 2 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728009 | 142172 | 0 | None | -11 | 2 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54580026 | 67799 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 660 | 13 | 1 | 9 | 4.4 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(CCCN1CCOCC1)Cc1c(Cl)cncc1Cl | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762707 | 67799 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 660 | 13 | 1 | 9 | 4.4 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(CCCN1CCOCC1)Cc1c(Cl)cncc1Cl | 10.1016/j.bmcl.2011.01.138 | ||
| 11561403 | 142600 | 0 | None | 5 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730599 | 142600 | 0 | None | 5 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 44210958 | 142532 | 0 | None | -14 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 423 | 5 | 1 | 2 | 6.2 | Cc1cc(C)cc(C(O)/C=C2\C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| CHEMBL3730179 | 142532 | 0 | None | -14 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 423 | 5 | 1 | 2 | 6.2 | Cc1cc(C)cc(C(O)/C=C2\C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| 11676915 | 142082 | 1 | None | -10 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 457 | 7 | 0 | 5 | 5.2 | COc1ccc(C(=O)O[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1OC | nan | ||
| CHEMBL3727438 | 142082 | 1 | None | -10 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 457 | 7 | 0 | 5 | 5.2 | COc1ccc(C(=O)O[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1OC | nan | ||
| 11552633 | 142803 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3731811 | 142803 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11618499 | 142158 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| CHEMBL3727861 | 142158 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| 11718827 | 142625 | 0 | None | -2 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730717 | 142625 | 0 | None | -2 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54584943 | 67789 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 545 | 11 | 1 | 8 | 4.1 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)Cc1ccco1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762698 | 67789 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 545 | 11 | 1 | 8 | 4.1 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)Cc1ccco1 | 10.1016/j.bmcl.2011.01.138 | ||
| 44210958 | 142532 | 0 | None | 14 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 423 | 5 | 1 | 2 | 6.2 | Cc1cc(C)cc(C(O)/C=C2\C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| CHEMBL3730179 | 142532 | 0 | None | 14 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 423 | 5 | 1 | 2 | 6.2 | Cc1cc(C)cc(C(O)/C=C2\C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| 46221497 | 142471 | 0 | None | 10 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1cccc(CO[C@@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| CHEMBL3729794 | 142471 | 0 | None | 10 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1cccc(CO[C@@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| 11561740 | 142585 | 0 | None | -13 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 463 | 5 | 1 | 2 | 6.6 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3730500 | 142585 | 0 | None | -13 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 463 | 5 | 1 | 2 | 6.6 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 | nan | ||
| 54584944 | 67790 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 555 | 11 | 1 | 7 | 4.5 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccccc1)Cc1ccncc1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762699 | 67790 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 555 | 11 | 1 | 7 | 4.5 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccccc1)Cc1ccncc1 | 10.1016/j.bmcl.2011.01.138 | ||
| 11552633 | 142803 | 0 | None | -1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3731811 | 142803 | 0 | None | -1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11641227 | 142569 | 0 | None | -3 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730405 | 142569 | 0 | None | -3 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11552633 | 142803 | 0 | None | -1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3731811 | 142803 | 0 | None | -1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54581018 | 67792 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 624 | 11 | 1 | 8 | 5.2 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)Cc1c(Cl)cncc1Cl | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762700 | 67792 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 624 | 11 | 1 | 8 | 5.2 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)Cc1c(Cl)cncc1Cl | 10.1016/j.bmcl.2011.01.138 | ||
| 46221498 | 142262 | 3 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728505 | 142262 | 3 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54584945 | 67795 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 493 | 10 | 1 | 7 | 3.4 | CCN(Cc1ccncc1)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762703 | 67795 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 493 | 10 | 1 | 7 | 3.4 | CCN(Cc1ccncc1)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 127036914 | 142807 | 0 | None | 6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3731844 | 142807 | 0 | None | 6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| 11539607 | 143029 | 0 | None | -13 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3733177 | 143029 | 0 | None | -13 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11676915 | 142082 | 1 | None | -10 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 7 | 0 | 5 | 5.2 | COc1ccc(C(=O)O[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1OC | nan | ||
| CHEMBL3727438 | 142082 | 1 | None | -10 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 7 | 0 | 5 | 5.2 | COc1ccc(C(=O)O[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1OC | nan | ||
| 11503486 | 142939 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3732603 | 142939 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11539607 | 143029 | 0 | None | -13 | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3733177 | 143029 | 0 | None | -13 | 2 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54581019 | 67796 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 519 | 11 | 1 | 7 | 3.7 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)CC1CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762704 | 67796 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 519 | 11 | 1 | 7 | 3.7 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)CC1CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 54584004 | 67787 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 431 | 9 | 3 | 6 | 3.1 | NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762696 | 67787 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 431 | 9 | 3 | 6 | 3.1 | NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1 | 10.1016/j.bmcl.2011.01.138 | ||
| 54585913 | 67798 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 492 | 10 | 1 | 6 | 4.0 | CCN(Cc1ccccc1)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762706 | 67798 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 492 | 10 | 1 | 6 | 4.0 | CCN(Cc1ccccc1)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 127036914 | 142807 | 0 | None | -6 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3731844 | 142807 | 0 | None | -6 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| 11618499 | 142158 | 0 | None | -3 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| CHEMBL3727861 | 142158 | 0 | None | -3 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| 11561403 | 142600 | 0 | None | -5 | 2 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730599 | 142600 | 0 | None | -5 | 2 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11539607 | 143029 | 0 | None | 13 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3733177 | 143029 | 0 | None | 13 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54580024 | 67793 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 1 | 8 | 3.5 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)CC1CCCO1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762701 | 67793 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 1 | 8 | 3.5 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)CC1CCCO1 | 10.1016/j.bmcl.2011.01.138 | ||
| 11691090 | 142172 | 0 | None | 11 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728009 | 142172 | 0 | None | 11 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 46221498 | 142262 | 3 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728505 | 142262 | 3 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11618499 | 142158 | 0 | None | -3 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| CHEMBL3727861 | 142158 | 0 | None | -3 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| 46221497 | 142471 | 0 | None | -10 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1cccc(CO[C@@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| CHEMBL3729794 | 142471 | 0 | None | -10 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1cccc(CO[C@@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| 11539085 | 121930 | 16 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3343995 | 121930 | 16 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 46221498 | 142262 | 3 | None | -2 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728505 | 142262 | 3 | None | -2 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 44210958 | 142532 | 0 | None | -14 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 423 | 5 | 1 | 2 | 6.2 | Cc1cc(C)cc(C(O)/C=C2\C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| CHEMBL3730179 | 142532 | 0 | None | -14 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 423 | 5 | 1 | 2 | 6.2 | Cc1cc(C)cc(C(O)/C=C2\C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 | nan | ||
| 54585912 | 67784 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 627 | 11 | 2 | 8 | 4.0 | CC(CN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762693 | 67784 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 627 | 11 | 2 | 8 | 4.0 | CC(CN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 11718827 | 142625 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730717 | 142625 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11661466 | 43690 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL145103 | 43690 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| 11661466 | 43690 | 0 | None | -1 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL145103 | 43690 | 0 | None | -1 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| 11503486 | 142939 | 0 | None | -3 | 2 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3732603 | 142939 | 0 | None | -3 | 2 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11661466 | 43690 | 0 | None | -1 | 3 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL145103 | 43690 | 0 | None | -1 | 3 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| 11676915 | 142082 | 1 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 457 | 7 | 0 | 5 | 5.2 | COc1ccc(C(=O)O[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1OC | nan | ||
| CHEMBL3727438 | 142082 | 1 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 457 | 7 | 0 | 5 | 5.2 | COc1ccc(C(=O)O[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1OC | nan | ||
| 54584003 | 67786 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 481 | 9 | 3 | 6 | 4.2 | NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762695 | 67786 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 481 | 9 | 3 | 6 | 4.2 | NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1 | 10.1016/j.bmcl.2011.01.138 | ||
| 11561740 | 142585 | 0 | None | -13 | 2 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 5 | 1 | 2 | 6.6 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3730500 | 142585 | 0 | None | -13 | 2 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 5 | 1 | 2 | 6.6 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 | nan | ||
| 11539085 | 121930 | 16 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3343995 | 121930 | 16 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11561403 | 142600 | 0 | None | -5 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730599 | 142600 | 0 | None | -5 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54584942 | 67788 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 442 | 7 | 1 | 6 | 2.9 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N1CCCCC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762697 | 67788 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 442 | 7 | 1 | 6 | 2.9 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N1CCCCC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 54586326 | 67346 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 1 | 7 | 4.7 | CCN(Cc1c(Cl)cncc1Cl)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1760000 | 67346 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 1 | 7 | 4.7 | CCN(Cc1c(Cl)cncc1Cl)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 11718827 | 142625 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730717 | 142625 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54580023 | 67785 | 2 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 352 | 5 | 1 | 4 | 4.5 | Clc1ccc(CCNc2nc(N3CCCC3)c3ccccc3n2)cc1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762694 | 67785 | 2 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 352 | 5 | 1 | 4 | 4.5 | Clc1ccc(CCNc2nc(N3CCCC3)c3ccccc3n2)cc1 | 10.1016/j.bmcl.2011.01.138 | ||
| 54580025 | 67794 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 537 | 13 | 1 | 8 | 3.4 | COCCCN(Cc1ccncc1)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| CHEMBL1762702 | 67794 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 537 | 13 | 1 | 8 | 3.4 | COCCCN(Cc1ccncc1)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 | 10.1016/j.bmcl.2011.01.138 | ||
| 127036914 | 142807 | 0 | None | -6 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3731844 | 142807 | 0 | None | -6 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| 11561740 | 142585 | 0 | None | 13 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 463 | 5 | 1 | 2 | 6.6 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3730500 | 142585 | 0 | None | 13 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 463 | 5 | 1 | 2 | 6.6 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 | nan | ||
| 11641227 | 142569 | 0 | None | -3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730405 | 142569 | 0 | None | -3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11691090 | 142172 | 0 | None | -11 | 2 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728009 | 142172 | 0 | None | -11 | 2 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 10482 | 7786 | 18 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 435 | 6 | 2 | 6 | 4.7 | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C | 31498617 | ||
| 139030531 | 7786 | 18 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 435 | 6 | 2 | 6 | 4.7 | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C | 31498617 | ||
| CHEMBL4460098 | 7786 | 18 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 435 | 6 | 2 | 6 | 4.7 | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C | 31498617 | ||
| 10567 | 8618 | 0 | None | -12 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 35704588 | ||||
| 145996510 | 8618 | 0 | None | -12 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | Guide to Pharmacology | None | None | None | None | 35704588 | ||||
| 2719 | 7704 | 74 | None | -45 | 2 | Human | 3.5 | pEC50 | = | 3.5 | Functional | Guide to Pharmacology | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 20004959 | ||
| 5535 | 7704 | 74 | None | -45 | 2 | Human | 3.5 | pEC50 | = | 3.5 | Functional | Guide to Pharmacology | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 20004959 | ||
| 607 | 7704 | 74 | None | -45 | 2 | Human | 3.5 | pEC50 | = | 3.5 | Functional | Guide to Pharmacology | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 20004959 | ||
| CHEMBL76 | 7704 | 74 | None | -45 | 2 | Human | 3.5 | pEC50 | = | 3.5 | Functional | Guide to Pharmacology | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 20004959 | ||
| DB00608 | 7704 | 74 | None | -45 | 2 | Human | 3.5 | pEC50 | = | 3.5 | Functional | Guide to Pharmacology | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 20004959 | ||
| 101401182 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 101401182 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 15163697 | ||||
| 101401182 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 23396314 | ||||
| 16158367 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 16158367 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 15163697 | ||||
| 16158367 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 23396314 | ||||
| 4058 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 4058 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 15163697 | ||||
| 4058 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 23396314 | ||||
| CHEMBL3343989 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| CHEMBL3343989 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 15163697 | ||||
| CHEMBL3343989 | 7494 | 23 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 23396314 | ||||
| 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 |
| 155543843 | 181714 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 411 | 7 | 3 | 5 | 3.9 | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4565294 | 181714 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 411 | 7 | 3 | 5 | 3.9 | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5084093 | 221674 | 3 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | None | None | None | CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 59819634 | 141244 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 648 | 11 | 4 | 7 | 4.9 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 | nan | ||
| CHEMBL3717645 | 141244 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 648 | 11 | 4 | 7 | 4.9 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 | nan | ||
| 59819672 | 141729 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 604 | 13 | 4 | 7 | 4.5 | CN(CCc1ccccn1)C(=O)c1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)n2[C@@H](CCCNC(=N)N)C(N)=O | nan | ||
| CHEMBL3719266 | 141729 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 604 | 13 | 4 | 7 | 4.5 | CN(CCc1ccccn1)C(=O)c1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)n2[C@@H](CCCNC(=N)N)C(N)=O | nan | ||
| 168291043 | 198682 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 374 | 7 | 2 | 4 | 3.6 | CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5200001 | 198682 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 374 | 7 | 2 | 4 | 3.6 | CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168289487 | 198205 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 370 | 5 | 2 | 4 | 3.9 | Cc1cc2cccc(NC(=O)c3ccccc3NS(=O)(=O)C3CC3)c2o1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5192837 | 198205 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 370 | 5 | 2 | 4 | 3.9 | Cc1cc2cccc(NC(=O)c3ccccc3NS(=O)(=O)C3CC3)c2o1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168277932 | 197461 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 404 | 9 | 2 | 5 | 3.6 | CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C2CC2)c(OCC)c1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5181857 | 197461 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 404 | 9 | 2 | 5 | 3.6 | CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C2CC2)c(OCC)c1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5082858 | 221607 | 10 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | None | None | None | Cc1sc2ncnc(Oc3ccc(F)cc3)c2c1C | 10.1021/acs.jmedchem.1c01709 | ||||
| 71598556 | 197158 | 32 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 360 | 7 | 2 | 4 | 3.2 | CCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5177388 | 197158 | 32 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 360 | 7 | 2 | 4 | 3.2 | CCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 118717468 | 121929 | 1 | None | - | 0 | Mouse | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343994 | 121929 | 1 | None | - | 0 | Mouse | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| 168287582 | 198365 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 396 | 7 | 2 | 4 | 3.5 | CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5195160 | 198365 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 396 | 7 | 2 | 4 | 3.5 | CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168274093 | 197084 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 386 | 8 | 2 | 4 | 3.6 | O=C(Nc1ccccc1OCC1CC1)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5176049 | 197084 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 386 | 8 | 2 | 4 | 3.6 | O=C(Nc1ccccc1OCC1CC1)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168273467 | 196883 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 7 | 2 | 4 | 3.4 | CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5172913 | 196883 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 7 | 2 | 4 | 3.4 | CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168275005 | 197143 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 420 | 7 | 2 | 4 | 3.8 | CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1OCC(F)(F)F | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5177134 | 197143 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 420 | 7 | 2 | 4 | 3.8 | CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1OCC(F)(F)F | 10.1021/acsmedchemlett.2c00100 | ||
| 168297110 | 199304 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 356 | 5 | 2 | 4 | 3.6 | O=C(Nc1cccc2occc12)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5209542 | 199304 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 356 | 5 | 2 | 4 | 3.6 | O=C(Nc1cccc2occc12)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 710974 | 48739 | 10 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 242 | 2 | 0 | 4 | 3.8 | Cc1ccccc1Oc1ncnc2sccc12 | 10.1021/acs.jmedchem.1c01709 | ||
| CHEMBL1494771 | 48739 | 10 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 242 | 2 | 0 | 4 | 3.8 | Cc1ccccc1Oc1ncnc2sccc12 | 10.1021/acs.jmedchem.1c01709 | ||
| 155524924 | 177706 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 465 | 7 | 3 | 5 | 4.8 | Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(Oc2ccc(C(=N)N)cc2)c1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4455263 | 177706 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 465 | 7 | 3 | 5 | 4.8 | Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(Oc2ccc(C(=N)N)cc2)c1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5078077 | 221313 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | None | None | None | Cc1cc2c(Oc3ccccc3F)ncnc2s1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 59819673 | 141253 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 590 | 13 | 5 | 7 | 4.2 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccccn3)ccc21 | nan | ||
| CHEMBL3717681 | 141253 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 590 | 13 | 5 | 7 | 4.2 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccccn3)ccc21 | nan | ||
| 89224504 | 141737 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 555 | 10 | 4 | 7 | 3.3 | N=C(N)NCCC[C@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCOCC3)ccc21 | nan | ||
| CHEMBL3719296 | 141737 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 555 | 10 | 4 | 7 | 3.3 | N=C(N)NCCC[C@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCOCC3)ccc21 | nan | ||
| 118717467 | 121928 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343993 | 121928 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| 155551191 | 180720 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 395 | 6 | 3 | 4 | 4.2 | Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2Oc2ccc(C(=N)N)cc2)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4541091 | 180720 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 395 | 6 | 3 | 4 | 4.2 | Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2Oc2ccc(C(=N)N)cc2)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5070279 | 221010 | 10 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | None | None | None | Cc1sc2ncnc(Oc3ccccc3)c2c1C | 10.1021/acs.jmedchem.1c01709 | ||||
| CHEMBL5075377 | 221150 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | None | None | None | Cc1csc2ncnc(Oc3ccccc3F)c12 | 10.1021/acs.jmedchem.1c01709 | ||||
| 168297286 | 199257 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 378 | 7 | 2 | 4 | 3.4 | CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5208855 | 199257 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 378 | 7 | 2 | 4 | 3.4 | CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 155530228 | 178292 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 341 | 9 | 3 | 4 | 4.0 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCCC(C)C | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4464063 | 178292 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 341 | 9 | 3 | 4 | 4.0 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCCC(C)C | 10.1021/acs.jmedchem.9b01003 | ||
| 168289095 | 198080 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 400 | 7 | 2 | 4 | 3.9 | CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5191110 | 198080 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 400 | 7 | 2 | 4 | 3.9 | CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| 155563230 | 182086 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 399 | 6 | 3 | 4 | 4.0 | Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Oc2ccc(C(=N)N)cc2)c1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4573405 | 182086 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 399 | 6 | 3 | 4 | 4.0 | Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Oc2ccc(C(=N)N)cc2)c1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5077100 | 221259 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | Fc1ccccc1Oc1ncnc2scc(C(F)(F)F)c12 | 10.1021/acs.jmedchem.1c01709 | ||||
| 168296710 | 199007 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 362 | 7 | 2 | 4 | 3.4 | CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5205025 | 199007 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 362 | 7 | 2 | 4 | 3.4 | CCOc1ccccc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5080027 | 221438 | 3 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1sc2ncnc(Oc3ccccc3F)c2c1C | 10.1021/acs.jmedchem.1c01709 | ||||
| 155566258 | 182581 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 3.6 | CCCCS(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4584398 | 182581 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 3.6 | CCCCS(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5081104 | 221499 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(F)cc1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 155546489 | 180338 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 411 | 7 | 3 | 5 | 3.9 | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccccc1C(=N)N | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4532285 | 180338 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 411 | 7 | 3 | 5 | 3.9 | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccccc1C(=N)N | 10.1021/acs.jmedchem.9b01003 | ||
| 25209705 | 187839 | 28 | None | - | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL475965 | 187839 | 28 | None | - | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 2 | 8 | 3.3 | COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)cc4=O)c3C)cc2)cn1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL5085932 | 221781 | 16 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | None | None | None | Cc1cccc(Oc2ncnc3sc(C)c(C)c23)c1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 101401182 | 7494 | 23 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 89224506 | 141054 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 601 | 11 | 6 | 7 | 4.9 | N=C(N)NCCC[C@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc21 | nan | ||
| CHEMBL3716995 | 141054 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 601 | 11 | 6 | 7 | 4.9 | N=C(N)NCCC[C@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc21 | nan | ||
| 24779707 | 141616 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 568 | 11 | 5 | 8 | 4.5 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3nccs3)ccc21 | nan | ||
| CHEMBL3718857 | 141616 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 568 | 11 | 5 | 8 | 4.5 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3nccs3)ccc21 | nan | ||
| CHEMBL5079109 | 221387 | 13 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | None | None | None | Cc1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 168289511 | 198275 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 374 | 7 | 2 | 4 | 3.6 | CC(C)Oc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5193744 | 198275 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 374 | 7 | 2 | 4 | 3.6 | CC(C)Oc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168293260 | 198919 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 366 | 7 | 2 | 4 | 3.2 | CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5203677 | 198919 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 366 | 7 | 2 | 4 | 3.2 | CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| 155517690 | 176971 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 367 | 8 | 3 | 5 | 4.2 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccsc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4444915 | 176971 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 367 | 8 | 3 | 5 | 4.2 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccsc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 155523607 | 177679 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 3 | 4 | 3.3 | CCCCS(=O)(=O)Nc1ccccc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4454684 | 177679 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 3 | 4 | 3.3 | CCCCS(=O)(=O)Nc1ccccc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 101401182 | 7494 | 23 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 101401182 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| CHEMBL5076018 | 221187 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccc(F)cc1 | 10.1021/acs.jmedchem.1c01709 | ||||
| CHEMBL5077884 | 221299 | 6 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | None | None | None | Cc1sc2ncnc(Oc3cccc(F)c3)c2c1C | 10.1021/acs.jmedchem.1c01709 | ||||
| 168295140 | 199043 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 384 | 7 | 2 | 4 | 3.4 | CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5205606 | 199043 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 384 | 7 | 2 | 4 | 3.4 | CCOc1ccc(F)cc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| 168294649 | 199165 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 400 | 7 | 2 | 4 | 4.2 | O=C(Nc1ccccc1OC1CCCC1)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5207586 | 199165 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 400 | 7 | 2 | 4 | 4.2 | O=C(Nc1ccccc1OC1CCCC1)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 1486 | 10096 | 28 | None | - | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2014.09.025 | ||||
| 53320361 | 10096 | 28 | None | - | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2014.09.025 | ||||
| CHEMBL1672380 | 10096 | 28 | None | - | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2014.09.025 | ||||
| 101401182 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 118717466 | 121927 | 0 | None | - | 0 | Mouse | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 354 | 7 | 6 | 4 | 0.2 | N=C(N)Nc1cccc(C(N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343992 | 121927 | 0 | None | - | 0 | Mouse | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 354 | 7 | 6 | 4 | 0.2 | N=C(N)Nc1cccc(C(N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL5094111 | 222251 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 155530554 | 178312 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 4.2 | COc1cc(CNc2cccc(C(=N)N)c2)ccc1OCc1ccccc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4464286 | 178312 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 4.2 | COc1cc(CNc2cccc(C(=N)N)c2)ccc1OCc1ccccc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5092430 | 222146 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccccc1 | 10.1021/acs.jmedchem.1c01709 | ||||
| 155544956 | 180195 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 3 | 5 | 3.9 | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cccc(C(=N)N)c1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4528536 | 180195 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 3 | 5 | 3.9 | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cccc(C(=N)N)c1 | 10.1021/acs.jmedchem.9b01003 | ||
| 168275106 | 197335 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 436 | 7 | 2 | 4 | 4.3 | CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccccc1OCC(F)(F)F | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5179980 | 197335 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 436 | 7 | 2 | 4 | 4.3 | CCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccccc1OCC(F)(F)F | 10.1021/acsmedchemlett.2c00100 | ||
| 168272667 | 197220 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.1 | Cc1ccc(NS(=O)(=O)C2CC2)c(C(=O)Nc2ccccc2OCC(F)(F)F)c1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5178316 | 197220 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.1 | Cc1ccc(NS(=O)(=O)C2CC2)c(C(=O)Nc2ccccc2OCC(F)(F)F)c1 | 10.1021/acsmedchemlett.2c00100 | ||
| 155536163 | 178953 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 385 | 7 | 2 | 5 | 5.0 | COc1cc(CNc2ccc3c(N)nccc3c2)ccc1OCc1ccccc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4473501 | 178953 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 385 | 7 | 2 | 5 | 5.0 | COc1cc(CNc2ccc3c(N)nccc3c2)ccc1OCc1ccccc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 127024460 | 141325 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 643 | 12 | 5 | 6 | 5.7 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21 | nan | ||
| CHEMBL3717941 | 141325 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 643 | 12 | 5 | 6 | 5.7 | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21 | nan | ||
| 118717464 | 121924 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 346 | 6 | 5 | 4 | -0.9 | N=C(N)N1CCC(C(N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343988 | 121924 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 346 | 6 | 5 | 4 | -0.9 | N=C(N)N1CCC(C(N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 | 10.1016/j.bmc.2014.09.025 | ||
| 168276836 | 196928 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 382 | 7 | 2 | 4 | 3.8 | CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5173653 | 196928 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 382 | 7 | 2 | 4 | 3.8 | CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5092269 | 222135 | 6 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | None | None | None | Fc1ccccc1Oc1ncnc2sccc12 | 10.1021/acs.jmedchem.1c01709 | ||||
| 168283988 | 198026 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 420 | 7 | 2 | 4 | 3.8 | CCS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccccc1OCC(F)(F)F | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5190176 | 198026 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 420 | 7 | 2 | 4 | 3.8 | CCS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccccc1OCC(F)(F)F | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5078996 | 221376 | 16 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1ccccc1Oc1ncnc2sc(C)c(C)c12 | 10.1021/acs.jmedchem.1c01709 | ||||
| 101401182 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b01003 | ||||
| 10482 | 7786 | 18 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 435 | 6 | 2 | 6 | 4.7 | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C | 10.1021/acs.jmedchem.9b01003 | ||
| 139030531 | 7786 | 18 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 435 | 6 | 2 | 6 | 4.7 | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4460098 | 7786 | 18 | None | - | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 435 | 6 | 2 | 6 | 4.7 | COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C | 10.1021/acs.jmedchem.9b01003 | ||
| 101401182 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.025 | ||||
| 122185 | 121925 | 22 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 320 | 9 | 6 | 4 | -1.2 | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343990 | 121925 | 22 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 320 | 9 | 6 | 4 | -1.2 | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2014.09.025 | ||
| 118717465 | 121926 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 332 | 7 | 6 | 4 | -1.3 | N=C(N)NC[C@@H]1CN[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343991 | 121926 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 332 | 7 | 6 | 4 | -1.3 | N=C(N)NC[C@@H]1CN[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 | 10.1016/j.bmc.2014.09.025 | ||
| 118717467 | 121928 | 0 | None | - | 0 | Rat | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343993 | 121928 | 0 | None | - | 0 | Rat | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| 168278287 | 197904 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 414 | 7 | 2 | 4 | 3.8 | O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5188039 | 197904 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 414 | 7 | 2 | 4 | 3.8 | O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168286049 | 198099 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 2 | 4 | 3.6 | CCCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5191409 | 198099 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 374 | 8 | 2 | 4 | 3.6 | CCCOc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 23646462 | 70263 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 4.2 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL179938 | 70263 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 4.2 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL5093049 | 222182 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1sc2ncnc(Oc3ccccc3C(F)(F)F)c2c1C | 10.1021/acs.jmedchem.1c01709 | ||||
| 155511165 | 176336 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 331 | 7 | 3 | 3 | 4.2 | N=C(N)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4435637 | 176336 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 331 | 7 | 3 | 3 | 4.2 | N=C(N)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 155541652 | 179843 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 362 | 8 | 3 | 5 | 3.6 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1cccnc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4519524 | 179843 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 362 | 8 | 3 | 5 | 3.6 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1cccnc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 168293057 | 198854 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 394 | 7 | 2 | 4 | 3.9 | CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5202767 | 198854 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 394 | 7 | 2 | 4 | 3.9 | CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168282623 | 197704 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 412 | 7 | 2 | 4 | 4.0 | CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5185447 | 197704 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 412 | 7 | 2 | 4 | 4.0 | CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 25026048 | 140718 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 541 | 13 | 5 | 6 | 4.3 | CCCCNC(=O)c1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)n2[C@@H](CCCNC(=N)N)C(N)=O | nan | ||
| CHEMBL3715864 | 140718 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 541 | 13 | 5 | 6 | 4.3 | CCCCNC(=O)c1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)n2[C@@H](CCCNC(=N)N)C(N)=O | nan | ||
| 59819658 | 140766 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 658 | 11 | 4 | 7 | 5.4 | Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc(-c3cccc(Oc5ccccc5)c3)n4[C@@H](CCCNC(=N)N)C(N)=O)CC2C)c1 | nan | ||
| CHEMBL3716029 | 140766 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 658 | 11 | 4 | 7 | 5.4 | Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc(-c3cccc(Oc5ccccc5)c3)n4[C@@H](CCCNC(=N)N)C(N)=O)CC2C)c1 | nan | ||
| 118717468 | 121929 | 1 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343994 | 121929 | 1 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 368 | 8 | 6 | 4 | 0.1 | N=C(N)Nc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 | 10.1016/j.bmc.2014.09.025 | ||
| 1486 | 10096 | 28 | None | - | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2014.09.025 | ||||
| 53320361 | 10096 | 28 | None | - | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2014.09.025 | ||||
| CHEMBL1672380 | 10096 | 28 | None | - | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2014.09.025 | ||||
| 122185 | 121925 | 22 | None | - | 0 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 320 | 9 | 6 | 4 | -1.2 | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343990 | 121925 | 22 | None | - | 0 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 320 | 9 | 6 | 4 | -1.2 | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2014.09.025 | ||
| 155542939 | 179951 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 426 | 9 | 3 | 5 | 5.0 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccc(-n2cccc2)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4521959 | 179951 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 426 | 9 | 3 | 5 | 5.0 | COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCc1ccc(-n2cccc2)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 168287539 | 198338 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.7 | CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5194692 | 198338 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.7 | CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 25026047 | 141031 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 591 | 12 | 5 | 7 | 5.0 | COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCNC(=N)N)C(N)=O)cc1 | nan | ||
| CHEMBL3716921 | 141031 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 591 | 12 | 5 | 7 | 5.0 | COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCNC(=N)N)C(N)=O)cc1 | nan | ||
| 118717464 | 121924 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 346 | 6 | 5 | 4 | -0.9 | N=C(N)N1CCC(C(N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343988 | 121924 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 346 | 6 | 5 | 4 | -0.9 | N=C(N)N1CCC(C(N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 | 10.1016/j.bmc.2014.09.025 | ||
| 118717463 | 121923 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 318 | 6 | 6 | 4 | -1.6 | N=C(N)N[C@@H]1CN[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343987 | 121923 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 318 | 6 | 6 | 4 | -1.6 | N=C(N)N[C@@H]1CN[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 | 10.1016/j.bmc.2014.09.025 | ||
| 168276174 | 197145 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 3.5 | CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5177145 | 197145 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 3.5 | CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| 168295597 | 199016 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 378 | 7 | 2 | 4 | 3.4 | CCOc1ccccc1NC(=O)c1ccc(F)cc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5205161 | 199016 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 378 | 7 | 2 | 4 | 3.4 | CCOc1ccccc1NC(=O)c1ccc(F)cc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168286158 | 198220 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 374 | 5 | 2 | 5 | 2.6 | O=C(Nc1cccc2c1OCCO2)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5193017 | 198220 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 374 | 5 | 2 | 5 | 2.6 | O=C(Nc1cccc2c1OCCO2)c1ccccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 168270533 | 196676 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 448 | 7 | 2 | 4 | 4.4 | O=C(Nc1ccccc1OCC(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5169615 | 196676 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 448 | 7 | 2 | 4 | 4.4 | O=C(Nc1ccccc1OCC(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C1CC1 | 10.1021/acsmedchemlett.2c00100 | ||
| 155518019 | 177015 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 3.6 | CCCCS(=O)(=O)Nc1cc(C)ccc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| CHEMBL4445698 | 177015 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 361 | 8 | 3 | 4 | 3.6 | CCCCS(=O)(=O)Nc1cc(C)ccc1Oc1ccc(C(=N)N)cc1 | 10.1021/acs.jmedchem.9b01003 | ||
| 168269481 | 196799 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 366 | 7 | 2 | 4 | 3.2 | CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| CHEMBL5171656 | 196799 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 366 | 7 | 2 | 4 | 3.2 | CCOc1ccccc1NC(=O)c1cc(F)ccc1NS(=O)(=O)CC | 10.1021/acsmedchemlett.2c00100 | ||
| 11539607 | 143029 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3733177 | 143029 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11641227 | 142569 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730405 | 142569 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 462 | 5 | 1 | 3 | 6.7 | O=C(Nc1cccc2ccccc12)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 46221498 | 142262 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728505 | 142262 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 450 | 6 | 1 | 2 | 6.1 | FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11552633 | 142803 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3731811 | 142803 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 379 | 5 | 0 | 1 | 6.1 | C(\Cc1ccccc1)=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11718827 | 142625 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730717 | 142625 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 425 | 6 | 1 | 3 | 5.6 | COc1ccccc1C(O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11661466 | 43690 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL145103 | 43690 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 408 | 6 | 0 | 3 | 5.4 | N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 | nan | ||
| 11503486 | 142939 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3732603 | 142939 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.4 | O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 127036914 | 142807 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3731844 | 142807 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 465 | 5 | 0 | 3 | 6.2 | O=C(O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F | nan | ||
| 11691090 | 142172 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3728009 | 142172 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 457 | 6 | 2 | 3 | 5.3 | COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11539085 | 121930 | 16 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3343995 | 121930 | 16 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 54580026 | 67799 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 660 | 13 | 1 | 9 | 4.4 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(CCCN1CCOCC1)Cc1c(Cl)cncc1Cl | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL1762707 | 67799 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 660 | 13 | 1 | 9 | 4.4 | O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(CCCN1CCOCC1)Cc1c(Cl)cncc1Cl | 10.1016/j.bmc.2014.09.025 | ||
| 11561403 | 142600 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL3730599 | 142600 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 5 | 1 | 3 | 6.2 | O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | nan | ||
| 11618499 | 142158 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| CHEMBL3727861 | 142158 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 5 | 1 | 2 | 5.7 | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 | nan | ||
| 11539085 | 121930 | 16 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2014.09.025 | ||
| CHEMBL3343995 | 121930 | 16 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.7 | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2014.09.025 | ||
| 101401182 | 7494 | 23 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 101401182 | 7494 | 23 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 16158367 | 7494 | 23 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| 4058 | 7494 | 23 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||
| CHEMBL3343989 | 7494 | 23 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11850634 | ||||