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 |
| 93149 | 106717 | 78 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| CHEMBL316589 | 106717 | 78 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| 336912 | 83370 | 26 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 240 | 2 | 2 | 4 | 1.8 | OCc1ccc2ccc3ccc(CO)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205802 | 83370 | 26 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 240 | 2 | 2 | 4 | 1.8 | OCc1ccc2ccc3ccc(CO)nc3c2n1 | 10.1021/jm301121j | ||
| 2733927 | 83375 | 90 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205808 | 83375 | 90 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| 667748 | 83372 | 78 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205805 | 83372 | 78 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| 20445 | 83373 | 105 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| CHEMBL2205806 | 83373 | 105 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| 667748 | 83372 | 78 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205805 | 83372 | 78 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| 15783796 | 83378 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205810 | 83378 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| 602123 | 83371 | 50 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83371 | 50 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 20445 | 83373 | 105 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| CHEMBL2205806 | 83373 | 105 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| 15783796 | 83378 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205810 | 83378 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| 602123 | 83371 | 50 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83371 | 50 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 74265 | 206606 | 107 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| CHEMBL99384 | 206606 | 107 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| 353741 | 71720 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL1976682 | 71720 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| 65237 | 137099 | 97 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137099 | 97 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 74265 | 206606 | 107 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| CHEMBL99384 | 206606 | 107 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| 353741 | 71720 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL1976682 | 71720 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| 15664 | 83374 | 93 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL2205807 | 83374 | 93 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| 65237 | 137099 | 97 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137099 | 97 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 15664 | 83374 | 93 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL2205807 | 83374 | 93 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| 72791 | 206499 | 71 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL98682 | 206499 | 71 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 77865 | 106802 | 76 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 106802 | 76 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 72791 | 206499 | 71 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL98682 | 206499 | 71 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 12041800 | 201799 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 410 | 7 | 2 | 4 | 6.4 | Clc1ccc2c(NCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 | 10.1016/j.bmcl.2011.11.014 | ||
| CHEMBL66165 | 201799 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 410 | 7 | 2 | 4 | 6.4 | Clc1ccc2c(NCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 | 10.1016/j.bmcl.2011.11.014 | ||
| 77865 | 106802 | 76 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 106802 | 76 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 1474 | 153865 | 133 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 153865 | 133 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 1474 | 153865 | 133 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 153865 | 133 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 14338 | 4302 | 115 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4302 | 115 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 14338 | 4302 | 115 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4302 | 115 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 12987698 | 83376 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205809 | 83376 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| 14434082 | 83369 | 11 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL2205801 | 83369 | 11 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| 14434082 | 83369 | 11 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL2205801 | 83369 | 11 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| 12987698 | 83376 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205809 | 83376 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| 12425 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 12425 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 70848 | 204945 | 105 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 204945 | 105 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 70848 | 204945 | 105 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 204945 | 105 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 72792 | 198041 | 76 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 198041 | 76 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 72792 | 198041 | 76 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 198041 | 76 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 11151928 | 188897 | 0 | None | -1 | 4 | Human | 9.8 | pED50 | = | 9.8 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL513863 | 188897 | 0 | None | -1 | 4 | Human | 9.8 | pED50 | = | 9.8 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 10456104 | 71638 | 0 | None | 56 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71638 | 0 | None | 56 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 59278332 | 170505 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4457209 | 170505 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 59278286 | 170989 | 1 | None | 112 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 170989 | 1 | None | 112 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 45138759 | 171771 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 467 | 7 | 1 | 7 | 3.6 | CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475581 | 171771 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 467 | 7 | 1 | 7 | 3.6 | CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 6918497 | 112931 | 1 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 66686405 | 174667 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4571977 | 174667 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| 9980155 | 71472 | 0 | None | 23 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71472 | 0 | None | 23 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 10003548 | 71628 | 0 | None | 223 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71628 | 0 | None | 223 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 11743399 | 72138 | 12 | None | 32 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72138 | 12 | None | 32 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405176 | 134882 | 0 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 134882 | 0 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44309143 | 201797 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66159 | 201797 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| 59278147 | 172425 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 492 | 5 | 1 | 6 | 3.9 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4518015 | 172425 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 492 | 5 | 1 | 6 | 3.9 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 59278115 | 174263 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 439 | 5 | 1 | 7 | 2.8 | CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4562738 | 174263 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 439 | 5 | 1 | 7 | 2.8 | CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 10434371 | 72611 | 0 | None | 5 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72611 | 0 | None | 5 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 52916803 | 170415 | 14 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4456123 | 170415 | 14 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155511620 | 169019 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 453 | 6 | 1 | 3 | 6.3 | CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4436061 | 169019 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 453 | 6 | 1 | 3 | 6.3 | CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| 11554849 | 72507 | 0 | None | 2 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72507 | 0 | None | 2 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453265 | 94942 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256821 | 94942 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453400 | 95089 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257509 | 95089 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 10003548 | 71628 | 0 | None | 223 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71628 | 0 | None | 223 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10072252 | 72273 | 0 | None | -17 | 2 | Mouse | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72273 | 0 | None | -17 | 2 | Mouse | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405203 | 72141 | 0 | None | 31 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72141 | 0 | None | 31 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405202 | 72648 | 0 | None | 17 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72648 | 0 | None | 17 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 76322249 | 105699 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 880 | 16 | 6 | 6 | 11.0 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3137848 | 105699 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 880 | 16 | 6 | 6 | 11.0 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3138130 | 209373 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138370 | 209373 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 44453225 | 95294 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258368 | 95294 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10003548 | 71628 | 0 | None | 223 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71628 | 0 | None | 223 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10789018 | 34950 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL143499 | 34950 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 44453503 | 94636 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255338 | 94636 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138765 | 173843 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4552741 | 173843 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309194 | 201845 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66457 | 201845 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44430752 | 87569 | 0 | None | 7 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87569 | 0 | None | 7 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430752 | 87569 | 0 | None | 7 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87569 | 0 | None | 7 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 59278305 | 169465 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4442765 | 169465 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 59278307 | 170985 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 5 | 1 | 7 | 3.0 | CC(C)(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464575 | 170985 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 5 | 1 | 7 | 3.0 | CC(C)(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44470374 | 175303 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 507 | 6 | 1 | 6 | 3.0 | CN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)cc2)CC1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4586189 | 175303 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 507 | 6 | 1 | 6 | 3.0 | CN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)cc2)CC1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453162 | 94826 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256272 | 94826 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 44453199 | 95223 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258064 | 95223 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44469804 | 171452 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4471579 | 171452 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44405203 | 72141 | 0 | None | 31 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72141 | 0 | None | 31 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44309407 | 102491 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL306457 | 102491 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44468442 | 169984 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4450029 | 169984 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155530458 | 170973 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 409 | 5 | 2 | 4 | 4.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1CO | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4464403 | 170973 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 409 | 5 | 2 | 4 | 4.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1CO | 10.1016/j.bmcl.2018.11.015 | ||
| 44468440 | 172786 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 346 | 4 | 1 | 4 | 3.5 | O=C(NCc1ccncc1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4527255 | 172786 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 346 | 4 | 1 | 4 | 3.5 | O=C(NCc1ccncc1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453357 | 97074 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270419 | 97074 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453525 | 97054 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270358 | 97054 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309161 | 202344 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69876 | 202344 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL3138123 | 209371 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)c1cc(C(=CCC[C@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3C(C)CCCC(C)C)C2)c2cc(Cl)c(O)c(C(=O)N[C@@H](CCSC)C(=O)O)c2)cc(Cl)c1O)C(=O)O | 10.1016/s0960-894x(00)00601-6 | ||||
| 44453638 | 165929 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL427834 | 165929 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430746 | 86689 | 0 | None | -1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 86689 | 0 | None | -1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 155564974 | 174904 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 439 | 5 | 1 | 3 | 5.9 | CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4577357 | 174904 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 439 | 5 | 1 | 3 | 5.9 | CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| 10388824 | 132917 | 0 | None | 4 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 132917 | 0 | None | 4 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44309397 | 202112 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68366 | 202112 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44453320 | 97040 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270253 | 97040 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453579 | 155048 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404465 | 155048 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309364 | 202222 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69123 | 202222 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44453615 | 94721 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255797 | 94721 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453402 | 95129 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257698 | 95129 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10456104 | 71638 | 0 | None | 56 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71638 | 0 | None | 56 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44430723 | 86413 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232253 | 86413 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453614 | 154726 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402825 | 154726 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 24758044 | 82450 | 0 | None | 14 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82450 | 0 | None | 14 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44480600 | 174489 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4568048 | 174489 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44405212 | 72622 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200680 | 72622 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 10001921 | 72108 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72108 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 512282 | 747 | 55 | None | -147 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 747 | 55 | None | -147 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 747 | 55 | None | -147 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 10388824 | 132917 | 0 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 132917 | 0 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 49865900 | 16007 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224118 | 16007 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24782574 | 178782 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL473734 | 178782 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 9980155 | 71472 | 0 | None | 23 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71472 | 0 | None | 23 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 44405234 | 132769 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370447 | 132769 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10575889 | 33468 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142199 | 33468 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453084 | 94824 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256264 | 94824 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430713 | 86289 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86289 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 58138868 | 169980 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4449996 | 169980 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 58138852 | 173493 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 452 | 7 | 2 | 5 | 3.4 | CCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4544186 | 173493 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 452 | 7 | 2 | 5 | 3.4 | CCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 58138832 | 169309 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | COC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4440452 | 169309 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | COC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155544726 | 174368 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4565390 | 174368 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44405194 | 71489 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 427 | 5 | 1 | 3 | 3.9 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H]2C[C@@H]1CN2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196908 | 71489 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 427 | 5 | 1 | 3 | 3.9 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H]2C[C@@H]1CN2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405181 | 132303 | 0 | None | 51 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132303 | 0 | None | 51 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 44430713 | 86289 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86289 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453467 | 95288 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258359 | 95288 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453363 | 97077 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270433 | 97077 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453501 | 97357 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271903 | 97357 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453292 | 154941 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404033 | 154941 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138893 | 174913 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4577460 | 174913 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11801020 | 12142 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1184558 | 12142 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL356099 | 12142 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 22725647 | 173127 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173127 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44430745 | 141519 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387822 | 141519 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 45138458 | 171122 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 7 | 2.7 | CCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4466500 | 171122 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 7 | 2.7 | CCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453164 | 95290 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258361 | 95290 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 10001921 | 72108 | 0 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72108 | 0 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 155533145 | 171255 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 409 | 4 | 1 | 2 | 6.3 | Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4468514 | 171255 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 409 | 4 | 1 | 2 | 6.3 | Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10766998 | 33801 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| CHEMBL142468 | 33801 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| 22725647 | 173127 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173127 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10164 | 861 | 14 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 135565361 | 861 | 14 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4444976 | 861 | 14 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 52917500 | 171702 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 465 | 5 | 1 | 7 | 3.2 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CCC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4474606 | 171702 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 465 | 5 | 1 | 7 | 3.2 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CCC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 59278436 | 171740 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 2.4 | CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475173 | 171740 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 2.4 | CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 10049340 | 102170 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304358 | 102170 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 44405181 | 132303 | 0 | None | 51 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132303 | 0 | None | 51 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 49865951 | 16023 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224189 | 16023 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 10072252 | 72273 | 0 | None | 17 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72273 | 0 | None | 17 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10434371 | 72611 | 0 | None | 5 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72611 | 0 | None | 5 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 11719164 | 139739 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL380568 | 139739 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453637 | 97540 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272758 | 97540 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 6918497 | 112931 | 1 | None | -17 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | -17 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | -17 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 44453229 | 94955 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256889 | 94955 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138845 | 175549 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 429 | 4 | 1 | 3 | 5.6 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4591935 | 175549 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 429 | 4 | 1 | 3 | 5.6 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155562877 | 174654 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4571547 | 174654 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 25254218 | 16009 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224120 | 16009 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24782826 | 188995 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL514611 | 188995 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 25233755 | 178757 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| CHEMBL473532 | 178757 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| 24782826 | 188995 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| CHEMBL514611 | 188995 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| 58138826 | 169834 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4448064 | 169834 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309195 | 101678 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302533 | 101678 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44453167 | 95292 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258363 | 95292 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453195 | 154637 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402327 | 154637 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453197 | 154874 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403665 | 154874 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430748 | 86793 | 0 | None | 1 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 86793 | 0 | None | 1 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453504 | 95083 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257452 | 95083 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10003548 | 71628 | 0 | None | -223 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71628 | 0 | None | -223 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 52916803 | 170415 | 14 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | nan | ||
| CHEMBL4456123 | 170415 | 14 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | nan | ||
| 46858281 | 170842 | 3 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.2 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4462565 | 170842 | 3 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.2 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453433 | 160292 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411476 | 160292 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430723 | 86413 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232253 | 86413 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44469380 | 169679 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1F | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4445779 | 169679 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1F | 10.1016/j.bmcl.2018.12.024 | ||
| 9889700 | 118083 | 13 | None | 11 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL34166 | 118083 | 13 | None | 11 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453464 | 94857 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256449 | 94857 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138911 | 174042 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 1 | 3 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4557554 | 174042 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 1 | 3 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 76336764 | 105706 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 766 | 12 | 4 | 4 | 12.8 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3138187 | 105706 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 766 | 12 | 4 | 4 | 12.8 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3138134 | 209374 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138376 | 209374 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 44453157 | 154728 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402827 | 154728 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 155538947 | 172215 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 4 | 1 | 3 | 5.5 | Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2F)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4513370 | 172215 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 4 | 1 | 3 | 5.5 | Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2F)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44405203 | 72141 | 0 | None | 31 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72141 | 0 | None | 31 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453161 | 94825 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256271 | 94825 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453435 | 97152 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270863 | 97152 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44537841 | 668 | 8 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 57889181 | 668 | 8 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 9497 | 668 | 8 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL2398716 | 668 | 8 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL3334824 | 668 | 8 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 45138007 | 169885 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4448761 | 169885 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 71462570 | 82154 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| CHEMBL2178569 | 82154 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| 44453403 | 94693 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255629 | 94693 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453202 | 94849 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256404 | 94849 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11743399 | 72138 | 12 | None | 32 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72138 | 12 | None | 32 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10072252 | 72273 | 0 | None | 17 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72273 | 0 | None | 17 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 11554849 | 72507 | 0 | None | 2 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72507 | 0 | None | 2 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405211 | 133070 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL371248 | 133070 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| 9980155 | 71472 | 0 | None | -23 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71472 | 0 | None | -23 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 10072252 | 72273 | 0 | None | 17 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72273 | 0 | None | 17 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405202 | 72648 | 0 | None | -17 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72648 | 0 | None | -17 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405181 | 132303 | 0 | None | -51 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132303 | 0 | None | -51 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 9804868 | 33616 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142318 | 33616 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 44309122 | 102347 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL305423 | 102347 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| 1370410 | 86474 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322888 | 86474 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 11743399 | 72138 | 12 | None | 32 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72138 | 12 | None | 32 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10811393 | 34662 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143194 | 34662 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453227 | 94953 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256887 | 94953 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10649043 | 34331 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142925 | 34331 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| 45138010 | 170292 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4454067 | 170292 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 25233754 | 178756 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| CHEMBL473531 | 178756 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| 44453469 | 95289 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258360 | 95289 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 155526212 | 170470 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 4 | 1 | 2 | 5.7 | Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4456839 | 170470 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 4 | 1 | 2 | 5.7 | Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453437 | 160293 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411477 | 160293 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44405180 | 140102 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 431 | 6 | 1 | 3 | 4.1 | CC(=O)Nc1cc(Cl)ccc1CCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL381446 | 140102 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 431 | 6 | 1 | 3 | 4.1 | CC(=O)Nc1cc(Cl)ccc1CCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44453165 | 95291 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258362 | 95291 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453263 | 155101 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404732 | 155101 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430755 | 152891 | 0 | None | 5 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 152891 | 0 | None | 5 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453528 | 97091 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270564 | 97091 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430753 | 141491 | 0 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141491 | 0 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25252974 | 16022 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224188 | 16022 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 17753030 | 86583 | 0 | None | 3 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86583 | 0 | None | 3 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10434371 | 72611 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72611 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44405176 | 134882 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 134882 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 58138789 | 171745 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475237 | 171745 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 21070989 | 86461 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453291 | 96973 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269957 | 96973 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453361 | 166769 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429419 | 166769 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 11554849 | 72507 | 0 | None | -2 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72507 | 0 | None | -2 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 9980155 | 71472 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71472 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 9845614 | 120769 | 22 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL357919 | 120769 | 22 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL3138115 | 209376 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138540 | 209376 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 59278474 | 171566 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.8 | O=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4472994 | 171566 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.8 | O=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11554849 | 72507 | 0 | None | 2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72507 | 0 | None | 2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453321 | 97041 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270254 | 97041 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 155561040 | 174801 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 418 | 6 | 2 | 5 | 2.7 | CNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4574870 | 174801 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 418 | 6 | 2 | 5 | 2.7 | CNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453290 | 96972 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269956 | 96972 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 59278286 | 170989 | 1 | None | -112 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 170989 | 1 | None | -112 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44469942 | 174374 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4565496 | 174374 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 25233582 | 189509 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL517290 | 189509 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 44309245 | 201752 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL65784 | 201752 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| 10001921 | 72108 | 0 | None | -3 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72108 | 0 | None | -3 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 9980155 | 71472 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71472 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 45138012 | 169642 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4445316 | 169642 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 58138781 | 174530 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 4 | 1 | 3 | 4.7 | O=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4568987 | 174530 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 4 | 1 | 3 | 4.7 | O=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453198 | 95173 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257853 | 95173 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430746 | 86689 | 0 | None | -1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 86689 | 0 | None | -1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44480348 | 175205 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(C)(=O)=O)nc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4583870 | 175205 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(C)(=O)=O)nc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453639 | 158318 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL409498 | 158318 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44405203 | 72141 | 0 | None | -31 | 2 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72141 | 0 | None | -31 | 2 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 10503785 | 120606 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| CHEMBL357434 | 120606 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| 59687824 | 82157 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1NC1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1021/jm300682j | ||
| CHEMBL2178572 | 82157 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1NC1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1021/jm300682j | ||
| 44430753 | 141491 | 0 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141491 | 0 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44470083 | 171012 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4465000 | 171012 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309312 | 202082 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68145 | 202082 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 21070989 | 86461 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453200 | 95224 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258065 | 95224 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 44405181 | 132303 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132303 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10434371 | 72611 | 0 | None | -5 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72611 | 0 | None | -5 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44405212 | 72622 | 0 | None | -1 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200680 | 72622 | 0 | None | -1 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 155549724 | 173289 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4539264 | 173289 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10388824 | 132917 | 0 | None | -4 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 132917 | 0 | None | -4 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 9870185 | 83682 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 489 | 7 | 3 | 5 | 3.5 | O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12 | 10.1016/j.bmcl.2012.09.113 | ||
| CHEMBL2207666 | 83682 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 489 | 7 | 3 | 5 | 3.5 | O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12 | 10.1016/j.bmcl.2012.09.113 | ||
| 162658125 | 180514 | 0 | None | -125 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 180514 | 0 | None | -125 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162666730 | 181692 | 0 | None | -707 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 181692 | 0 | None | -707 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 44453436 | 97198 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271079 | 97198 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453293 | 166850 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429591 | 166850 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 9869274 | 118808 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL344073 | 118808 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| 44430745 | 141519 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387822 | 141519 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10111333 | 174894 | 0 | None | -19 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 174894 | 0 | None | -19 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 58138841 | 169069 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4437170 | 169069 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 747 | 55 | None | 9 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 747 | 55 | None | 9 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 747 | 55 | None | 9 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 44405202 | 72648 | 0 | None | 17 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72648 | 0 | None | 17 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 10576419 | 33976 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142620 | 33976 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL3138380 | 209375 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138437 | 209375 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 10001921 | 72108 | 0 | None | 3 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72108 | 0 | None | 3 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 11743399 | 72138 | 12 | None | -32 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72138 | 12 | None | -32 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10572669 | 118936 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL344989 | 118936 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 3497 | 1158 | 20 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 5311123 | 1158 | 20 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL1628706 | 1158 | 20 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 44453499 | 154864 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403613 | 154864 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10111333 | 174894 | 0 | None | -19 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 174894 | 0 | None | -19 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44430748 | 86793 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 86793 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430758 | 142278 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL389293 | 142278 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25233756 | 180300 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL475748 | 180300 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 58138880 | 171786 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475918 | 171786 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44405212 | 72622 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200680 | 72622 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 25253284 | 16008 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224119 | 16008 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 59278314 | 169351 | 16 | None | 54 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169351 | 16 | None | 54 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11211557 | 169287 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 4 | 1 | 3 | 4.8 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4440166 | 169287 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 4 | 1 | 3 | 4.8 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10456104 | 71638 | 0 | None | -56 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71638 | 0 | None | -56 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 59278235 | 172516 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4519965 | 172516 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44468708 | 174119 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4559388 | 174119 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453466 | 155109 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404757 | 155109 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453502 | 154604 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402110 | 154604 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309353 | 102929 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL308473 | 102929 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44453226 | 95295 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258369 | 95295 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 59278314 | 169351 | 16 | None | -54 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169351 | 16 | None | -54 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44468570 | 171303 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4469176 | 171303 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309219 | 101642 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302320 | 101642 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44309313 | 102054 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304053 | 102054 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 10434371 | 72611 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72611 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 17753030 | 86583 | 0 | None | 3 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86583 | 0 | None | 3 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44405176 | 134882 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 134882 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44405176 | 134882 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 134882 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44453529 | 97391 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272097 | 97391 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10076510 | 11534 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1180795 | 11534 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL143374 | 11534 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 5311125 | 34946 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143492 | 34946 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10717972 | 118846 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344324 | 118846 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44309077 | 202625 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL71499 | 202625 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 10695080 | 12096 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL1184276 | 12096 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL342444 | 12096 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| 44453163 | 154880 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 454 | 4 | 1 | 5 | 3.9 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2cccs2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403692 | 154880 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 454 | 4 | 1 | 5 | 3.9 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2cccs2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309124 | 202163 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68692 | 202163 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 58138788 | 170590 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 4 | 1 | 3 | 5.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4458721 | 170590 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 4 | 1 | 3 | 5.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 9956488 | 118733 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL343511 | 118733 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| 9956380 | 167686 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL433746 | 167686 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| 24758044 | 82450 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82450 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 37664972 | 169930 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.3 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4449368 | 169930 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.3 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453317 | 96996 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 480 | 5 | 1 | 5 | 4.2 | CSc1ccc(C2(O)CCN(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270033 | 96996 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 480 | 5 | 1 | 5 | 4.2 | CSc1ccc(C2(O)CCN(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430755 | 152891 | 0 | None | 5 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 152891 | 0 | None | 5 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 59278123 | 171781 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475801 | 171781 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309286 | 101864 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL303673 | 101864 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44453228 | 94954 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256888 | 94954 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| 10388824 | 132917 | 0 | None | 4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 132917 | 0 | None | 4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405196 | 140040 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 460 | 5 | 2 | 4 | 3.8 | COc1cc2c(cc1Cl)NC(=O)NC2CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL381223 | 140040 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 460 | 5 | 2 | 4 | 3.8 | COc1cc2c(cc1Cl)NC(=O)NC2CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44453641 | 97487 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272559 | 97487 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10789482 | 33464 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142191 | 33464 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453584 | 97474 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272523 | 97474 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44308819 | 202200 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68937 | 202200 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| 10547456 | 119081 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| CHEMBL346205 | 119081 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| 24758044 | 82450 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82450 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 155514261 | 169269 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169269 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 169269 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169269 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10526132 | 72132 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL142004 | 72132 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL198935 | 72132 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| 11554849 | 72507 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72507 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 10456104 | 71638 | 0 | None | 56 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71638 | 0 | None | 56 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 3536 | 3843 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10.1021/jm300682j | ||
| 44560289 | 3843 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10.1021/jm300682j | ||
| CHEMBL1186993 | 3843 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10.1021/jm300682j | ||
| 44405202 | 72648 | 0 | None | 17 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72648 | 0 | None | 17 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 11743399 | 72138 | 12 | None | 32 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72138 | 12 | None | 32 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44453359 | 97111 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270631 | 97111 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25022507 | 154886 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403728 | 154886 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10833944 | 118251 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| CHEMBL341840 | 118251 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| CHEMBL3138118 | 209372 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138133 | 209372 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 155521447 | 170017 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170017 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155521447 | 170017 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170017 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155549273 | 173263 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 404 | 5 | 1 | 5 | 4.0 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4538794 | 173263 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 404 | 5 | 1 | 5 | 4.0 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10690854 | 32529 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| CHEMBL141387 | 32529 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| 49798289 | 10550 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170391 | 10550 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798265 | 10628 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171006 | 10628 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 10300214 | 83784 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 492 | 9 | 2 | 5 | 5.0 | O=C(Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 | 10.1016/j.bmcl.2012.09.113 | ||
| CHEMBL2208416 | 83784 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 492 | 9 | 2 | 5 | 5.0 | O=C(Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 | 10.1016/j.bmcl.2012.09.113 | ||
| 49798264 | 10687 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171758 | 10687 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 19430534 | 10672 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171586 | 10672 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 15664 | 83374 | 93 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | None | ||
| CHEMBL2205807 | 83374 | 93 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | None | ||
| 3536 | 3843 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10854442 | ||
| 44560289 | 3843 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10854442 | ||
| CHEMBL1186993 | 3843 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10854442 | ||
| 4382 | 820 | 0 | None | -25 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | None | None | None | None | 23951310 | ||||
| 754 | 817 | 0 | None | -5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
| 126523866 | 1039 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 584 | 6 | 2 | 5 | 6.0 | NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1 | 12614873 | ||
| 3696 | 1039 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 584 | 6 | 2 | 5 | 6.0 | NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1 | 12614873 | ||
| 73755059 | 1039 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 584 | 6 | 2 | 5 | 6.0 | NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1 | 12614873 | ||
| 10750 | 2542 | 0 | None | 5011 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 532 | 5 | 2 | 5 | 6.3 | Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C\1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C | None | ||
| 18437138 | 2542 | 0 | None | 5011 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 532 | 5 | 2 | 5 | 6.3 | Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C\1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C | None | ||
| 486830 | 3939 | 0 | None | -10 | 5 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 768 | 3939 | 0 | None | -10 | 5 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 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 |
| 72548703 | 161019 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161019 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 25109291 | 190792 | 9 | None | 56 | 8 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 190792 | 9 | None | 56 | 8 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 59278286 | 170989 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 170989 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11744314 | 86926 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2332935 | 86926 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 68959963 | 86924 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 432 | 6 | 2 | 5 | 3.1 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332933 | 86924 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 432 | 6 | 2 | 5 | 3.1 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 11744314 | 86926 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332935 | 86926 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 10094212 | 86927 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2332936 | 86927 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10094212 | 86927 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332936 | 86927 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 72945512 | 103848 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 7 | 4 | 6 | 3.0 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099947 | 103848 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 7 | 4 | 6 | 3.0 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 10478859 | 86922 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 448 | 6 | 2 | 5 | 3.6 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332931 | 86922 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 448 | 6 | 2 | 5 | 3.6 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 25141109 | 129758 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| CHEMBL3679659 | 129758 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| 25141109 | 129758 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| CHEMBL3679659 | 129758 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| 71570633 | 86931 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 445 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332940 | 86931 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 445 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888919 | 90727 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398729 | 90727 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 72945510 | 103846 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 487 | 7 | 4 | 6 | 3.5 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099945 | 103846 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 487 | 7 | 4 | 6 | 3.5 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(03)00748-0 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(03)00748-0 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(03)00748-0 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 10389562 | 86921 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332930 | 86921 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 10032207 | 90354 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 536 | 6 | 3 | 7 | 3.1 | O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391803 | 90354 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 536 | 6 | 3 | 7 | 3.1 | O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 9954423 | 86923 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 3.5 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332932 | 86923 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 3.5 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 10409538 | 86925 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 414 | 6 | 2 | 5 | 3.0 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332934 | 86925 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 414 | 6 | 2 | 5 | 3.0 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889327 | 90715 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 420 | 6 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398717 | 90715 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 420 | 6 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25175119 | 129750 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679651 | 129750 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888993 | 113977 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 4.3 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334818 | 113977 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 4.3 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 59278286 | 170989 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 170989 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 25175119 | 129750 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679651 | 129750 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 68963686 | 90361 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 516 | 6 | 3 | 7 | 2.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391810 | 90361 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 516 | 6 | 3 | 7 | 2.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 512282 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 767 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL232656 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 57889430 | 90726 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398728 | 90726 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888834 | 90742 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398744 | 90742 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889764 | 90764 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398769 | 90764 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 71655299 | 90348 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391797 | 90348 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 25175289 | 129754 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679655 | 129754 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 72945311 | 103843 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 6 | 4 | 6 | 3.0 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099942 | 103843 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 6 | 4 | 6 | 3.0 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 25175289 | 129754 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679655 | 129754 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 10367570 | 90346 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 472 | 7 | 3 | 6 | 3.1 | O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391795 | 90346 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 472 | 7 | 3 | 6 | 3.1 | O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10412648 | 90385 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 3.6 | O=C(NC1CC1)c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391939 | 90385 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 3.6 | O=C(NC1CC1)c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889423 | 90745 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398747 | 90745 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 68959770 | 103841 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.2 | O=C(Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099940 | 103841 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.2 | O=C(Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 42602331 | 86932 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332941 | 86932 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 25141158 | 175669 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 4.4 | Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1 | nan | ||
| CHEMBL4436541 | 175669 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 4.4 | Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1 | nan | ||
| CHEMBL4594791 | 175669 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 4.4 | Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1 | nan | ||
| 25175123 | 129752 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679653 | 129752 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175123 | 129752 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679653 | 129752 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889430 | 90726 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398728 | 90726 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25175288 | 129753 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679654 | 129753 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175288 | 129753 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679654 | 129753 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889230 | 90737 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 5.0 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398739 | 90737 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 5.0 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888834 | 90742 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398744 | 90742 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 25206951 | 174766 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.3 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1 | nan | ||
| CHEMBL4574123 | 174766 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.3 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1 | nan | ||
| 42602328 | 90344 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 2.6 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391793 | 90344 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 2.6 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10368175 | 90359 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391808 | 90359 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 66686405 | 174667 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4571977 | 174667 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| 57889897 | 90735 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398737 | 90735 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889071 | 90744 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398746 | 90744 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 59444283 | 171819 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 6 | 3 | 4 | 3.5 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(C(N)=O)c1 | nan | ||
| CHEMBL4476397 | 171819 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 6 | 3 | 4 | 3.5 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(C(N)=O)c1 | nan | ||
| 59474992 | 129755 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679656 | 129755 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 72945313 | 103844 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 521 | 7 | 4 | 6 | 4.2 | O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099943 | 103844 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 521 | 7 | 4 | 6 | 4.2 | O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 72945314 | 103845 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 8 | 3 | 6 | 3.8 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099944 | 103845 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 8 | 3 | 6 | 3.8 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| 59474992 | 129755 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679656 | 129755 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 10436125 | 90355 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391804 | 90355 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889334 | 90741 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398743 | 90741 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 59444225 | 171110 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 6 | 4 | 4 | 3.4 | C[C@H](NC(=O)NC(C)(C)CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| CHEMBL4466344 | 171110 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 6 | 4 | 4 | 3.4 | C[C@H](NC(=O)NC(C)(C)CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| 11803142 | 11909 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183314 | 11909 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL289902 | 11909 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 57889736 | 113972 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334727 | 113972 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889679 | 90756 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398761 | 90756 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888966 | 90766 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398771 | 90766 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889613 | 90757 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398762 | 90757 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840192 | 86370 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(S(C)(=O)=O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2321887 | 86370 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(S(C)(=O)=O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57840295 | 86431 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 0 | 6 | 2.7 | COc1cc(N2CCN(C(=O)Cn3nc(C#N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322847 | 86431 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 0 | 6 | 2.7 | COc1cc(N2CCN(C(=O)Cn3nc(C#N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57840511 | 86453 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CO)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322867 | 86453 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CO)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71719855 | 86466 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 484 | 4 | 0 | 5 | 4.5 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Cl)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322880 | 86466 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 484 | 4 | 0 | 5 | 4.5 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Cl)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 17753030 | 86583 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86583 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 59278314 | 169351 | 16 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169351 | 16 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 21070993 | 86460 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 434 | 3 | 0 | 4 | 4.2 | Cc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322874 | 86460 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 434 | 3 | 0 | 4 | 4.2 | Cc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57888715 | 82433 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1C | 10.1021/jm300896d | ||
| CHEMBL2180511 | 82433 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1C | 10.1021/jm300896d | ||
| 44430755 | 152891 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 152891 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453527 | 97090 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 477 | 4 | 0 | 4 | 4.7 | N#CC1(c2ccc(Cl)cc2)CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270563 | 97090 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 477 | 4 | 0 | 4 | 4.7 | N#CC1(c2ccc(Cl)cc2)CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 11329244 | 70772 | 10 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
| CHEMBL195433 | 70772 | 10 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
| 11272103 | 123856 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
| CHEMBL363840 | 123856 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
| 14338 | 4302 | 115 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4302 | 115 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 72792 | 198041 | 76 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 198041 | 76 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 72945512 | 103848 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 7 | 4 | 6 | 3.0 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099947 | 103848 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 7 | 4 | 6 | 3.0 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44309060 | 102516 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 446 | 10 | 3 | 3 | 4.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL306683 | 102516 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 446 | 10 | 3 | 3 | 4.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 57889664 | 82388 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| CHEMBL2180194 | 82388 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| 25175449 | 129739 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679640 | 129739 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175449 | 129739 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679640 | 129739 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57888707 | 90763 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398768 | 90763 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 71718646 | 86464 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322878 | 86464 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57888718 | 82440 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 5.0 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180518 | 82440 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 5.0 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 71719253 | 86439 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](CO)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322854 | 86439 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](CO)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233756 | 180300 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL475748 | 180300 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 118714034 | 113979 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334820 | 113979 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 68496383 | 169493 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 5 | 3.7 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(C#N)cc1 | nan | ||
| CHEMBL4443024 | 169493 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 5 | 3.7 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(C#N)cc1 | nan | ||
| 59474993 | 129756 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 4 | 4.4 | [C-]#[N+]c1ccc([C@@]2(O)CCN(C(=O)[C@H]3CCCC[C@H]3NC(=O)c3cccc(C(=O)O)c3)CC2(C)C)cc1 | nan | ||
| CHEMBL3679657 | 129756 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 4 | 4.4 | [C-]#[N+]c1ccc([C@@]2(O)CCN(C(=O)[C@H]3CCCC[C@H]3NC(=O)c3cccc(C(=O)O)c3)CC2(C)C)cc1 | nan | ||
| 25175448 | 129737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679639 | 129737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175448 | 129737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679639 | 129737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 71655559 | 90356 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391805 | 90356 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 44453291 | 96973 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269957 | 96973 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 68956901 | 90360 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391809 | 90360 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 21071070 | 86451 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322865 | 86451 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10811980 | 99487 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.8 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL286355 | 99487 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.8 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 21071081 | 86459 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322873 | 86459 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 44453227 | 94953 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256887 | 94953 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10367570 | 90346 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 3 | 6 | 3.1 | O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391795 | 90346 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 3 | 6 | 3.1 | O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 57888832 | 82382 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180188 | 82382 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453436 | 97198 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271079 | 97198 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453525 | 97054 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270358 | 97054 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 24758046 | 82429 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180507 | 82429 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 12015739 | 103141 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 413 | 10 | 3 | 4 | 3.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC(C)C)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL308690 | 103141 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 413 | 10 | 3 | 4 | 3.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC(C)C)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 59444213 | 170733 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 484 | 5 | 2 | 4 | 4.2 | CC1(C)CN(C(=O)CC2(NC(=O)c3ccccc3)CCOCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL4460796 | 170733 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 484 | 5 | 2 | 4 | 4.2 | CC1(C)CN(C(=O)CC2(NC(=O)c3ccccc3)CCOCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 59444196 | 174724 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(NC(=O)c1ccccc1)C(C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL4573109 | 174724 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(NC(=O)c1ccccc1)C(C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 68963562 | 90353 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 2.4 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391802 | 90353 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 2.4 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10073725 | 90363 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 8 | 4 | 7 | 2.0 | O=C(NCCO)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391812 | 90363 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 8 | 4 | 7 | 2.0 | O=C(NCCO)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889974 | 90725 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398727 | 90725 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 21070983 | 86462 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 464 | 5 | 0 | 5 | 4.3 | CCOc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322876 | 86462 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 464 | 5 | 0 | 5 | 4.3 | CCOc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71718022 | 86472 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CO)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322886 | 86472 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CO)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430752 | 87569 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87569 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 11803142 | 11909 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183314 | 11909 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL289902 | 11909 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 25175446 | 129736 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679638 | 129736 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 25175446 | 129736 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679638 | 129736 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 71560163 | 86435 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 411 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CN)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322850 | 86435 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 411 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CN)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57840312 | 86457 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 382 | 4 | 0 | 5 | 2.9 | COc1cc(N2CCN(C(=O)Cn3ncc(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322871 | 86457 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 382 | 4 | 0 | 5 | 2.9 | COc1cc(N2CCN(C(=O)Cn3ncc(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233754 | 178756 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| CHEMBL473531 | 178756 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| 57889591 | 82460 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.6 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180538 | 82460 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.6 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 155549724 | 173289 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4539264 | 173289 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 24758630 | 82416 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 438 | 5 | 1 | 2 | 5.4 | O=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1 | 10.1021/jm300896d | ||
| CHEMBL2180494 | 82416 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 438 | 5 | 1 | 2 | 5.4 | O=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1 | 10.1021/jm300896d | ||
| 57889696 | 82449 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.3 | CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180527 | 82449 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.3 | CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888938 | 90761 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398766 | 90761 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 11124782 | 117965 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 11 | 3 | 3 | 7.3 | O=C(NCC1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL341306 | 117965 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 11 | 3 | 3 | 7.3 | O=C(NCC1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 69435853 | 103852 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.9 | O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099951 | 103852 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.9 | O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44453357 | 97074 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270419 | 97074 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57889164 | 90758 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398763 | 90758 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44431529 | 87560 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 490 | 9 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)CCC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234263 | 87560 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 490 | 9 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)CCC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57889660 | 90738 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398740 | 90738 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758296 | 82380 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180186 | 82380 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 72945111 | 103861 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 459 | 7 | 3 | 6 | 2.8 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099960 | 103861 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 459 | 7 | 3 | 6 | 2.8 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 68958915 | 90352 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 2.2 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1ccccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391801 | 90352 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 2.2 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1ccccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 44430755 | 152891 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 152891 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57888652 | 82461 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180539 | 82461 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309267 | 202356 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69978 | 202356 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 25231480 | 189482 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL517261 | 189482 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 72947880 | 103857 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 445 | 5 | 2 | 7 | 3.7 | Nc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099956 | 103857 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 445 | 5 | 2 | 7 | 3.7 | Nc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| 69437067 | 103858 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | Cc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099957 | 103858 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | Cc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| 10628025 | 11069 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL1178588 | 11069 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33586 | 11069 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44453464 | 94857 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256449 | 94857 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11082578 | 117567 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 603 | 10 | 3 | 3 | 7.5 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1F | 10.1021/jm0201767 | ||
| CHEMBL340491 | 117567 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 603 | 10 | 3 | 3 | 7.5 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1F | 10.1021/jm0201767 | ||
| 71719254 | 86467 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Br)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322881 | 86467 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Br)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25175122 | 129751 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679652 | 129751 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 24758297 | 82430 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 434 | 5 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180508 | 82430 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 434 | 5 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10769447 | 11075 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL1178601 | 11075 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34165 | 11075 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 10769447 | 11075 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178601 | 11075 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34165 | 11075 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 25175122 | 129751 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679652 | 129751 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 25174956 | 129749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679650 | 129749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 25174956 | 129749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679650 | 129749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 24782826 | 188995 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL514611 | 188995 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24782826 | 188995 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| CHEMBL514611 | 188995 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| 57889255 | 82383 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 4.7 | Cc1ccc(CC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| CHEMBL2180189 | 82383 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 4.7 | Cc1ccc(CC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| 44430726 | 86586 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(F)c(F)cc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232455 | 86586 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(F)c(F)cc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453293 | 166850 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429591 | 166850 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 10765199 | 112329 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL33074 | 112329 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| 10765199 | 112329 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33074 | 112329 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 10676520 | 11068 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178581 | 11068 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33340 | 11068 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 10509339 | 12264 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1185511 | 12264 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL418589 | 12264 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 44453614 | 154726 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402825 | 154726 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10368788 | 90347 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391796 | 90347 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10436125 | 90355 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391804 | 90355 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 11814253 | 116455 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm0201767 | ||
| CHEMBL338624 | 116455 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm0201767 | ||
| 71455572 | 82445 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180523 | 82445 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889660 | 90738 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398740 | 90738 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889158 | 90732 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398734 | 90732 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430754 | 166123 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL428193 | 166123 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309165 | 202309 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 9 | 3 | 6 | 3.0 | CC1CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)O1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69659 | 202309 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 9 | 3 | 6 | 3.0 | CC1CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)O1 | 10.1016/j.bmcl.2004.02.021 | ||
| 25174462 | 129745 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679646 | 129745 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174462 | 129745 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679646 | 129745 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44453202 | 94849 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256404 | 94849 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10555351 | 115658 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33580 | 115658 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| 44309155 | 202337 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL69822 | 202337 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 24758743 | 82446 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.0 | CC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180524 | 82446 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.0 | CC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888775 | 82463 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 5.0 | CCCC(NC(=O)c1ccccc1C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180541 | 82463 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 5.0 | CCCC(NC(=O)c1ccccc1C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889484 | 90759 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398764 | 90759 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10393066 | 103849 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 6 | 4 | 6 | 2.7 | NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099948 | 103849 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 6 | 4 | 6 | 2.7 | NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 11351191 | 86429 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322845 | 86429 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71718023 | 86473 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CN)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322887 | 86473 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CN)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 72945313 | 103844 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 521 | 7 | 4 | 6 | 4.2 | O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099943 | 103844 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 521 | 7 | 4 | 6 | 4.2 | O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 42602328 | 90344 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 2.6 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391793 | 90344 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 2.6 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 69437029 | 103856 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 5 | 1 | 5 | 4.6 | Cc1cc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2o1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099955 | 103856 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 5 | 1 | 5 | 4.6 | Cc1cc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2o1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44430742 | 141518 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 11 | 2 | 8 | 2.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN(C)C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387821 | 141518 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 11 | 2 | 8 | 2.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN(C)C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430724 | 151488 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 8 | 2 | 7 | 2.5 | CNc1c(Nc2cc(F)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL396700 | 151488 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 8 | 2 | 7 | 2.5 | CNc1c(Nc2cc(F)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453529 | 97391 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272097 | 97391 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309347 | 202571 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 10 | 3 | 5 | 4.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL71242 | 202571 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 10 | 3 | 5 | 4.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 10502989 | 112824 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL33159 | 112824 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 57991685 | 90718 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398720 | 90718 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10482996 | 103851 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 6 | 3 | 5 | 3.2 | NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099950 | 103851 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 6 | 3 | 5 | 3.2 | NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 10875472 | 113160 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 10 | 3 | 4 | 6.6 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1 | 10.1021/jm0201767 | ||
| CHEMBL332277 | 113160 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 10 | 3 | 4 | 6.6 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1 | 10.1021/jm0201767 | ||
| 44430753 | 141491 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141491 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309237 | 102346 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 463 | 10 | 4 | 5 | 3.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2nc1O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL305420 | 102346 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 463 | 10 | 4 | 5 | 3.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2nc1O | 10.1016/j.bmcl.2004.02.021 | ||
| 44430748 | 86793 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 86793 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 71681400 | 90723 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398725 | 90723 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25252974 | 16022 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224188 | 16022 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 10580015 | 11073 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178597 | 11073 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33929 | 11073 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 25175450 | 129740 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679641 | 129740 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175450 | 129740 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679641 | 129740 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44430735 | 87521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 10 | 2 | 7 | 3.8 | CCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234081 | 87521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 10 | 2 | 7 | 3.8 | CCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57889667 | 82453 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 5 | 2 | 3 | 3.7 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180531 | 82453 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 5 | 2 | 3 | 3.7 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1021/jm300896d | ||
| 72945311 | 103843 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 461 | 6 | 4 | 6 | 3.0 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099942 | 103843 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 461 | 6 | 4 | 6 | 3.0 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 71452035 | 82434 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C)c1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180512 | 82434 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C)c1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44430752 | 87569 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87569 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 72945111 | 103861 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 459 | 7 | 3 | 6 | 2.8 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099960 | 103861 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 459 | 7 | 3 | 6 | 2.8 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 24738063 | 90753 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398758 | 90753 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889679 | 90756 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398761 | 90756 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840356 | 86449 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 436 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3cc(Cl)c(C(F)(F)F)n3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322863 | 86449 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 436 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3cc(Cl)c(C(F)(F)F)n3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889975 | 82386 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180192 | 82386 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758298 | 82389 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 1 | 4 | 5.1 | CC(C)[C@@H](NC(=O)c1nc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180195 | 82389 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 1 | 4 | 5.1 | CC(C)[C@@H](NC(=O)c1nc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 71570634 | 86933 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332942 | 86933 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 44430748 | 86793 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 86793 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25176235 | 129741 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679642 | 129741 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25176235 | 129741 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679642 | 129741 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174305 | 129743 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679644 | 129743 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174305 | 129743 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679644 | 129743 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889141 | 82443 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 6 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180521 | 82443 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 6 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889796 | 82470 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180548 | 82470 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 73349030 | 90749 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398751 | 90749 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10555068 | 11905 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 443 | 4 | 1 | 1 | 6.7 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183306 | 11905 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 443 | 4 | 1 | 1 | 6.7 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1 | 10.1021/jm0004244 | ||
| CHEMBL289682 | 11905 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 443 | 4 | 1 | 1 | 6.7 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1 | 10.1021/jm0004244 | ||
| 21070982 | 86477 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 3 | 0 | 4 | 4.0 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322891 | 86477 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 3 | 0 | 4 | 4.0 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 57889592 | 82454 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 4.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180532 | 82454 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 4.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453433 | 160292 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411476 | 160292 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309087 | 101924 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL303947 | 101924 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 57889180 | 113971 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334726 | 113971 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57840556 | 86442 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322857 | 86442 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758299 | 82384 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180190 | 82384 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 795 | 568 | 3 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| 796 | 568 | 3 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| 9913085 | 568 | 3 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL20921 | 568 | 3 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| 44453637 | 97540 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272758 | 97540 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10505512 | 116062 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33639 | 116062 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| 57889625 | 82467 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 448 | 6 | 1 | 2 | 5.8 | CCCC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180545 | 82467 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 448 | 6 | 1 | 2 | 5.8 | CCCC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888746 | 90719 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398721 | 90719 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 73347500 | 90751 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 475 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](N)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398753 | 90751 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 475 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](N)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44453638 | 165929 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL427834 | 165929 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 52916803 | 170415 | 14 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4456123 | 170415 | 14 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 57888907 | 113976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334817 | 113976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 11744314 | 86926 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332935 | 86926 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57840363 | 86438 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322853 | 86438 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889099 | 113970 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334725 | 113970 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714001 | 113973 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334728 | 113973 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57888907 | 113976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334817 | 113976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 118714035 | 113980 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334821 | 113980 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714036 | 113981 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334822 | 113981 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714037 | 113982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334823 | 113982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714038 | 113983 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334825 | 113983 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 10698568 | 11076 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL1178613 | 11076 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34732 | 11076 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 10698568 | 11076 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178613 | 11076 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34732 | 11076 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25175283 | 129735 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679637 | 129735 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175283 | 129735 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679637 | 129735 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 71681399 | 90722 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398724 | 90722 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889077 | 90746 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 2 | 3 | 4.5 | CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398748 | 90746 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 2 | 3 | 4.5 | CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 59444189 | 171624 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 510 | 6 | 2 | 7 | 3.4 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-n2cnnn2)c1 | nan | ||
| CHEMBL4473668 | 171624 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 510 | 6 | 2 | 7 | 3.4 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-n2cnnn2)c1 | nan | ||
| 72945511 | 103847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 8 | 3 | 6 | 3.3 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099946 | 103847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 8 | 3 | 6 | 3.3 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| 57991707 | 90720 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398722 | 90720 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 71680936 | 90748 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398750 | 90748 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 52916803 | 170415 | 14 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | nan | ||
| CHEMBL4456123 | 170415 | 14 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | nan | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 68963393 | 90351 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391800 | 90351 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10480588 | 90384 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 3.5 | COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391938 | 90384 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 3.5 | COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889423 | 90745 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398747 | 90745 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10555108 | 11063 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178543 | 11063 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32257 | 11063 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 10094212 | 86927 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332936 | 86927 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57889347 | 90747 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 514 | 6 | 2 | 3 | 5.5 | CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398749 | 90747 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 514 | 6 | 2 | 3 | 5.5 | CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10072781 | 90383 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 456 | 7 | 2 | 5 | 3.4 | O=C(NC1CC1)c1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391937 | 90383 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 456 | 7 | 2 | 5 | 3.4 | O=C(NC1CC1)c1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10531632 | 11065 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178571 | 11065 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33050 | 11065 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57888919 | 90727 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398729 | 90727 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889334 | 90741 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398743 | 90741 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889164 | 90758 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398763 | 90758 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 17753030 | 86583 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86583 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 71681244 | 90721 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398723 | 90721 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840282 | 86430 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(Br)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322846 | 86430 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(Br)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25253284 | 16008 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224119 | 16008 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24758406 | 82426 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 404 | 6 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180504 | 82426 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 404 | 6 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889047 | 113969 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 5 | 3 | 3 | 4.6 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334724 | 113969 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 5 | 3 | 3 | 4.6 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 44430746 | 86689 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 86689 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309195 | 101678 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302533 | 101678 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44430721 | 143984 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL390707 | 143984 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453320 | 97040 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270253 | 97040 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10525291 | 117572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34053 | 117572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| 10525291 | 117572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL34053 | 117572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 57991713 | 90754 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 5 | 2 | 3 | 5.4 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C2(CCCC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398759 | 90754 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 5 | 2 | 3 | 5.4 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C2(CCCC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 73350585 | 90716 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398718 | 90716 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430746 | 86689 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 86689 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 71719255 | 86470 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 6 | 3.2 | CNC(=O)c1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(OC)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322884 | 86470 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 6 | 3.2 | CNC(=O)c1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(OC)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10531239 | 12300 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 449 | 6 | 2 | 2 | 5.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1185795 | 12300 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 449 | 6 | 2 | 2 | 5.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL433232 | 12300 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 449 | 6 | 2 | 2 | 5.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| 10769447 | 11075 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178601 | 11075 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34165 | 11075 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 10030344 | 103850 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 431 | 6 | 3 | 5 | 3.0 | NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099949 | 103850 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 431 | 6 | 3 | 5 | 3.0 | NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 118714038 | 113983 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334825 | 113983 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 24758408 | 82385 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1 | 10.1021/jm300896d | ||
| CHEMBL2180191 | 82385 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1 | 10.1021/jm300896d | ||
| 44309163 | 102242 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 11 | 3 | 5 | 3.5 | CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL304845 | 102242 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 11 | 3 | 5 | 3.5 | CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71718647 | 86471 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 5 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)N(C)C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322885 | 86471 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 5 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)N(C)C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430836 | 87564 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 8 | 2 | 8 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234276 | 87564 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 8 | 2 | 8 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453162 | 94826 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256272 | 94826 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 71682816 | 90755 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.7 | CC(C)[C@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398760 | 90755 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.7 | CC(C)[C@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44308819 | 202200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68937 | 202200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| 24745662 | 167083 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 3.4 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 9935062 | 167083 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 3.4 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL430166 | 167083 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 3.4 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57840512 | 86441 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322856 | 86441 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233755 | 178757 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| CHEMBL473532 | 178757 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| 44308819 | 202200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 44308819 | 202200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68937 | 202200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL68937 | 202200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44309124 | 202163 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68692 | 202163 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 57888663 | 90729 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398731 | 90729 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430718 | 86334 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3F)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232044 | 86334 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3F)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430753 | 141491 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141491 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 24758174 | 82428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180506 | 82428 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453504 | 95083 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257452 | 95083 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10505512 | 116062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33639 | 116062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| 10652533 | 11067 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178579 | 11067 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33223 | 11067 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 10995329 | 17997 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 563 | 13 | 4 | 4 | 5.5 | O=C(NCCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL126978 | 17997 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 563 | 13 | 4 | 4 | 5.5 | O=C(NCCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44308997 | 202044 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL67803 | 202044 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 24758176 | 82432 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| CHEMBL2180510 | 82432 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| 44430723 | 86413 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232253 | 86413 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453200 | 95224 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258065 | 95224 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 68963393 | 90351 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391800 | 90351 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10555351 | 115658 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33580 | 115658 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| 73353555 | 90750 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 6 | 1 | 3 | 5.5 | CO[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398752 | 90750 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 6 | 1 | 3 | 5.5 | CO[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 44309414 | 103574 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL309338 | 103574 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 57888812 | 82462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 2 | 4.9 | CC(C)(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180540 | 82462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 2 | 4.9 | CC(C)(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758045 | 82424 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC(C)CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180502 | 82424 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC(C)CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44430713 | 86289 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86289 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430756 | 86719 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccncc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232654 | 86719 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccncc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309327 | 202243 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 446 | 9 | 3 | 5 | 3.0 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69274 | 202243 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 446 | 9 | 3 | 5 | 3.0 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| 17753030 | 86583 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86583 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10873705 | 98877 | 7 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.8 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL282285 | 98877 | 7 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.8 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 44309178 | 102619 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 10 | 3 | 5 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL307535 | 102619 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 10 | 3 | 5 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 57390926 | 67521 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 427 | 7 | 2 | 6 | 2.6 | Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910159 | 67521 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 427 | 7 | 2 | 6 | 2.6 | Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.013 | ||
| 57888925 | 82466 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 4 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)(C)C | 10.1021/jm300896d | ||
| CHEMBL2180544 | 82466 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 4 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)(C)C | 10.1021/jm300896d | ||
| 57889874 | 82439 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 5 | 1 | 3 | 4.9 | CC(C)C(NC(=O)Oc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180517 | 82439 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 5 | 1 | 3 | 4.9 | CC(C)C(NC(=O)Oc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309122 | 102347 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL305423 | 102347 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| 25231300 | 173704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 1 | 2 | 5.0 | CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL454942 | 173704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 1 | 2 | 5.0 | CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 25231301 | 173794 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 405 | 4 | 1 | 2 | 4.6 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL455162 | 173794 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 405 | 4 | 1 | 2 | 4.6 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 44430716 | 86332 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 560 | 8 | 2 | 7 | 3.6 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Br)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232042 | 86332 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 560 | 8 | 2 | 7 | 3.6 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Br)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10531632 | 11065 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178571 | 11065 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33050 | 11065 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 10507823 | 11071 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178590 | 11071 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33614 | 11071 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 21071083 | 86458 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322872 | 86458 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| 59278314 | 169351 | 16 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169351 | 16 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 24758044 | 82450 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82450 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10049340 | 102170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| 10049340 | 102170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304358 | 102170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL304358 | 102170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44309105 | 202140 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 468 | 10 | 3 | 5 | 3.1 | NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68551 | 202140 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 468 | 10 | 3 | 5 | 3.1 | NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71460999 | 82468 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 5 | 3 | 4 | 2.3 | CC(O)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180546 | 82468 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 5 | 3 | 4 | 2.3 | CC(O)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 73355055 | 90752 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398757 | 90752 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25233582 | 189509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL517290 | 189509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 44309213 | 202034 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL67757 | 202034 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44430720 | 86410 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3cccc(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232251 | 86410 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3cccc(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57888758 | 90730 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398732 | 90730 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 11828215 | 113961 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 613 | 12 | 3 | 3 | 7.1 | O=C(NCCc1ccc(F)cc1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL333422 | 113961 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 613 | 12 | 3 | 3 | 7.1 | O=C(NCCc1ccc(F)cc1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 25233753 | 176404 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm801416q | ||
| CHEMBL462442 | 176404 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm801416q | ||
| 57889099 | 113970 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334725 | 113970 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889314 | 90743 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 3.3 | CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398745 | 90743 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 3.3 | CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888900 | 90762 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398767 | 90762 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889736 | 113972 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334727 | 113972 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57888785 | 113974 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334815 | 113974 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889188 | 113975 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334816 | 113975 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 57991707 | 90720 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398722 | 90720 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10509339 | 12264 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1185511 | 12264 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL418589 | 12264 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 10094211 | 90345 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.1 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391794 | 90345 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.1 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 10393066 | 103849 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 447 | 6 | 4 | 6 | 2.7 | NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099948 | 103849 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 447 | 6 | 4 | 6 | 2.7 | NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 72945112 | 103862 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 445 | 6 | 4 | 6 | 2.5 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099961 | 103862 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 445 | 6 | 4 | 6 | 2.5 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888895 | 90728 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398730 | 90728 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10676520 | 11068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178581 | 11068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33340 | 11068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 57889023 | 90760 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398765 | 90760 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889764 | 90764 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398769 | 90764 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889843 | 90739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398741 | 90739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 10507823 | 11071 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178590 | 11071 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33614 | 11071 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 73355055 | 90752 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398757 | 90752 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10652533 | 11067 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178579 | 11067 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33223 | 11067 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 44431524 | 144749 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 5 | 2.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391302 | 144749 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 5 | 2.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 24758044 | 82450 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2180528 | 82450 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 24758294 | 82418 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180496 | 82418 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453359 | 97111 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270631 | 97111 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44308902 | 102713 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL308243 | 102713 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 57888688 | 82441 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 3 | 4.2 | CC(C)C(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180519 | 82441 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 3 | 4.2 | CC(C)C(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 1370410 | 86474 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322888 | 86474 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 512282 | 747 | 55 | None | 147 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.037 | ||
| 767 | 747 | 55 | None | 147 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL232656 | 747 | 55 | None | 147 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.037 | ||
| 10995218 | 16438 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 549 | 12 | 4 | 4 | 5.1 | O=C(NCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL124127 | 16438 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 549 | 12 | 4 | 4 | 5.1 | O=C(NCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 10974378 | 113798 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 664 | 12 | 3 | 4 | 7.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 | 10.1021/jm0201767 | ||
| CHEMBL333063 | 113798 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 664 | 12 | 3 | 4 | 7.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 | 10.1021/jm0201767 | ||
| 10255511 | 90362 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 6 | 2 | 7 | 2.7 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCOCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391811 | 90362 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 6 | 2 | 7 | 2.7 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCOCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 25254218 | 16009 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224120 | 16009 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24758172 | 82431 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180509 | 82431 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 24758173 | 82447 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 2 | 4.2 | CC(C)CC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180525 | 82447 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 2 | 4.2 | CC(C)CC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 11464915 | 103853 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 5 | 2 | 5 | 3.4 | O=C1CCc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099952 | 103853 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 5 | 2 | 5 | 3.4 | O=C1CCc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| 68817337 | 86930 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.8 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2ccccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332939 | 86930 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.8 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2ccccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 44453161 | 94825 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256271 | 94825 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 21071096 | 86479 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322893 | 86479 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| 57889972 | 82472 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180550 | 82472 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 21071106 | 86524 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323422 | 86524 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| 71457362 | 82448 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC[C@@H](C)[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180526 | 82448 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC[C@@H](C)[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 21071046 | 86432 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cc(N2CCN(C(=O)Cn3nc(N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322848 | 86432 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cc(N2CCN(C(=O)Cn3nc(N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 21070990 | 86452 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 5 | 0 | 5 | 5.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322866 | 86452 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 5 | 0 | 5 | 5.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889407 | 90717 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398719 | 90717 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44309161 | 202344 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69876 | 202344 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 24759081 | 82437 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)C(NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180515 | 82437 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)C(NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430714 | 86290 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 8 | 2 | 7 | 2.8 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231830 | 86290 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 8 | 2 | 7 | 2.8 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453503 | 94636 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255338 | 94636 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453164 | 95290 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258361 | 95290 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 10555108 | 11063 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178543 | 11063 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32257 | 11063 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 44309166 | 202113 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68368 | 202113 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44453195 | 154637 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402327 | 154637 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 24759191 | 82464 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180542 | 82464 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44453400 | 95089 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257509 | 95089 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 11104005 | 116857 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 602 | 12 | 3 | 4 | 6.2 | O=C(NCCN1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL339752 | 116857 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 602 | 12 | 3 | 4 | 6.2 | O=C(NCCN1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 11113940 | 79172 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 509 | 8 | 1 | 6 | 5.9 | CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL21143 | 79172 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 509 | 8 | 1 | 6 | 5.9 | CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1 | 10.1016/s0960-894x(01)00176-7 | ||
| 25231299 | 188462 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL509457 | 188462 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 44453226 | 95295 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258369 | 95295 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21071108 | 86478 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322892 | 86478 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| 57840518 | 86437 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322852 | 86437 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 69439557 | 103854 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 5 | 2 | 5 | 3.4 | O=c1ccc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099953 | 103854 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 5 | 2 | 5 | 3.4 | O=c1ccc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| 57888963 | 82469 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 4 | 2 | 3 | 3.5 | C/C=C(/NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180547 | 82469 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 4 | 2 | 3 | 3.5 | C/C=C(/NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453290 | 96972 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269956 | 96972 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10628025 | 11069 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL1178588 | 11069 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33586 | 11069 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 24740170 | 82458 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 4.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180536 | 82458 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 4.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300896d | ||
| 44431527 | 87559 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 448 | 7 | 1 | 4 | 3.6 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234262 | 87559 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 448 | 7 | 1 | 4 | 3.6 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 71457361 | 82419 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180497 | 82419 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453265 | 94942 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256821 | 94942 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10579693 | 11064 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178558 | 11064 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32713 | 11064 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57396208 | 67522 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 9 | 2 | 3 | 4.3 | O=C(NCCCCN1CCC(Oc2ccc(F)cc2)C1)NCc1ccc(Br)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910160 | 67522 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 9 | 2 | 3 | 4.3 | O=C(NCCCCN1CCC(Oc2ccc(F)cc2)C1)NCc1ccc(Br)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
| 24759740 | 82459 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 5 | 1 | 2 | 3.8 | CC(C)C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180537 | 82459 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 5 | 1 | 2 | 3.8 | CC(C)C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44453641 | 97487 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272559 | 97487 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 3497 | 1158 | 20 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 5311123 | 1158 | 20 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL1628706 | 1158 | 20 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 44453157 | 154728 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402827 | 154728 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10164 | 861 | 14 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 135565361 | 861 | 14 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4444976 | 861 | 14 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 118714001 | 113973 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334728 | 113973 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889180 | 113971 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334726 | 113971 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889897 | 90735 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398737 | 90735 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 24738063 | 90753 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398758 | 90753 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889979 | 90733 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398735 | 90733 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889121 | 90740 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398742 | 90740 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889843 | 90739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398741 | 90739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 72945310 | 103842 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 3.3 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099941 | 103842 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 3.3 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 57889121 | 90740 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398742 | 90740 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57888747 | 90765 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398770 | 90765 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888938 | 90761 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398766 | 90761 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840427 | 86427 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322843 | 86427 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758171 | 82421 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180499 | 82421 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758856 | 82436 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180514 | 82436 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10435088 | 90382 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 4 | 7 | 1.9 | NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391936 | 90382 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 4 | 7 | 1.9 | NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 44453579 | 155048 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404465 | 155048 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25233577 | 176200 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.0 | Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)ccc1Cl | 10.1021/jm801416q | ||
| CHEMBL460535 | 176200 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.0 | Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)ccc1Cl | 10.1021/jm801416q | ||
| 59444242 | 169567 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC1(C)CN(C(=O)CCNC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL4444092 | 169567 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC1(C)CN(C(=O)CCNC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44453437 | 160293 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411477 | 160293 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 59444197 | 169527 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(CNC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL4443458 | 169527 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(CNC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 44430755 | 152891 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 152891 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 71717437 | 86468 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 5 | 1 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322882 | 86468 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 5 | 1 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453321 | 97041 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270254 | 97041 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309171 | 202336 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 462 | 12 | 3 | 5 | 3.7 | CC(C)CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69816 | 202336 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 462 | 12 | 3 | 5 | 3.7 | CC(C)CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| 9979012 | 79392 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 4.4 | O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL21199 | 79392 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 4.4 | O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00176-7 | ||
| 44453198 | 95173 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257853 | 95173 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309222 | 163513 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 3 | 5 | 2.9 | CC[C@H](C)[C@H](NC(=O)c1cnc2ccccc2n1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL420924 | 163513 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 3 | 5 | 2.9 | CC[C@H](C)[C@H](NC(=O)c1cnc2ccccc2n1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC | 10.1016/j.bmcl.2004.02.021 | ||
| 57889002 | 82455 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 5 | 1 | 2 | 4.0 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180533 | 82455 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 5 | 1 | 2 | 4.0 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| 59444291 | 173576 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 3 | 4 | 3.0 | CC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1 | nan | ||
| CHEMBL4546558 | 173576 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 3 | 4 | 3.0 | CC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1 | nan | ||
| 44453199 | 95223 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258064 | 95223 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453466 | 155109 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404757 | 155109 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453639 | 158318 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL409498 | 158318 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25231302 | 176431 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccccc1Cl | 10.1021/jm801416q | ||
| CHEMBL462650 | 176431 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccccc1Cl | 10.1021/jm801416q | ||
| 44431528 | 144656 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 541 | 9 | 1 | 7 | 2.5 | COS(=O)(=O)NC(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391239 | 144656 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 541 | 9 | 1 | 7 | 2.5 | COS(=O)(=O)NC(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2007.03.037 | ||
| 24758517 | 82381 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180187 | 82381 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453501 | 97357 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271903 | 97357 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 72945310 | 103842 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 3.3 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099941 | 103842 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 3.3 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 44309244 | 101594 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 516 | 9 | 3 | 5 | 4.7 | CC1(C)CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)(C)C1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL302038 | 101594 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 516 | 9 | 3 | 5 | 4.7 | CC1(C)CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)(C)C1 | 10.1016/j.bmcl.2004.02.021 | ||
| 24758518 | 82076 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2177135 | 82076 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889478 | 82415 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180493 | 82415 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 70861827 | 175597 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 5 | 2 | 4 | 3.6 | CC(C)(CC(=O)N1CCC(O)(c2ccc(C#N)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| CHEMBL4593102 | 175597 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 5 | 2 | 4 | 3.6 | CC(C)(CC(=O)N1CCC(O)(c2ccc(C#N)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| 11037958 | 75618 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300682j | ||
| CHEMBL20532 | 75618 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300682j | ||
| 11037958 | 75618 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL20532 | 75618 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888690 | 82425 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 4.0 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180503 | 82425 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 4.0 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309353 | 102929 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL308473 | 102929 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 59444274 | 175568 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 535 | 6 | 3 | 5 | 4.4 | C[C@H](CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 | nan | ||
| CHEMBL4592423 | 175568 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 535 | 6 | 3 | 5 | 4.4 | C[C@H](CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 | nan | ||
| 44453615 | 94721 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255797 | 94721 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309128 | 202328 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 10 | 4 | 6 | 1.2 | NC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69735 | 202328 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 10 | 4 | 6 | 1.2 | NC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 57840515 | 86455 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 6 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322869 | 86455 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 6 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 25233578 | 189483 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.2 | CC(c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL517262 | 189483 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.2 | CC(c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 57889613 | 90757 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398762 | 90757 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889023 | 90760 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398765 | 90760 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44309318 | 102518 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 460 | 10 | 3 | 5 | 3.4 | NC(=O)[C@H](CC1CCCC1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL306685 | 102518 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 460 | 10 | 3 | 5 | 3.4 | NC(=O)[C@H](CC1CCCC1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 9889700 | 118083 | 13 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL34166 | 118083 | 13 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 44431523 | 87634 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 3.0 | CC(C)(O)CC[C@@H](CN)C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234606 | 87634 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 3.0 | CC(C)(O)CC[C@@H](CN)C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2007.03.037 | ||
| 602123 | 83371 | 50 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83371 | 50 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 44430713 | 86289 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86289 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 68962095 | 90350 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.1 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391799 | 90350 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.1 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57840437 | 86443 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322858 | 86443 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71717436 | 86465 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(F)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322879 | 86465 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(F)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10579693 | 11064 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178558 | 11064 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32713 | 11064 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 9894714 | 11882 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183117 | 11882 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL280751 | 11882 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 52916803 | 170415 | 14 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | nan | ||
| CHEMBL4456123 | 170415 | 14 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | nan | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888895 | 90728 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398730 | 90728 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 512282 | 747 | 55 | None | 147 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 767 | 747 | 55 | None | 147 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| CHEMBL232656 | 747 | 55 | None | 147 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 71681399 | 90722 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398724 | 90722 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10482996 | 103851 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 6 | 3 | 5 | 3.2 | NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099950 | 103851 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 6 | 3 | 5 | 3.2 | NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 57889758 | 90736 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.6 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398738 | 90736 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.6 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 11236656 | 86454 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322868 | 86454 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24782574 | 178782 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL473734 | 178782 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 24758744 | 82417 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.2 | CC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180495 | 82417 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.2 | CC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 72945314 | 103845 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 501 | 8 | 3 | 6 | 3.8 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099944 | 103845 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 501 | 8 | 3 | 6 | 3.8 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| 72945510 | 103846 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 487 | 7 | 4 | 6 | 3.5 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099945 | 103846 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 487 | 7 | 4 | 6 | 3.5 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44430753 | 141491 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141491 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57840557 | 86448 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(NC(C)=O)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322862 | 86448 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(NC(C)=O)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453292 | 154941 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404033 | 154941 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11072275 | 16618 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 632 | 10 | 3 | 5 | 5.9 | COC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0201767 | ||
| CHEMBL124585 | 16618 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 632 | 10 | 3 | 5 | 5.9 | COC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0201767 | ||
| 9889700 | 118083 | 13 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL34166 | 118083 | 13 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 602123 | 83371 | 50 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83371 | 50 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 77865 | 106802 | 76 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 106802 | 76 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 10670301 | 113612 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33277 | 113612 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44453469 | 95289 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258360 | 95289 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453499 | 154864 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403613 | 154864 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309236 | 201952 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 10 | 3 | 4 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc(Br)c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL67256 | 201952 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 10 | 3 | 4 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc(Br)c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 11794863 | 118385 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34226 | 118385 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 11794863 | 118385 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34226 | 118385 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 77865 | 106802 | 76 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 106802 | 76 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 10793529 | 109266 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 4 | 1 | 3 | 7.4 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| CHEMBL32305 | 109266 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 4 | 1 | 3 | 7.4 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| 44453197 | 154874 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403665 | 154874 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309112 | 202245 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69285 | 202245 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 71719856 | 86469 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(N)=O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322883 | 86469 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(N)=O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44309313 | 102054 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304053 | 102054 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 57840210 | 86436 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 426 | 5 | 1 | 6 | 2.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(=O)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322851 | 86436 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 426 | 5 | 1 | 6 | 2.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(=O)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889880 | 82471 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 6 | 2 | 3 | 3.7 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180549 | 82471 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 6 | 2 | 3 | 3.7 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24740167 | 82457 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 3.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180535 | 82457 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 3.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889006 | 82473 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 3.7 | CSCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180551 | 82473 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 3.7 | CSCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889003 | 90724 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 90724 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25233947 | 173701 | 8 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL454940 | 173701 | 8 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 44453435 | 97152 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270863 | 97152 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44309407 | 102491 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL306457 | 102491 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 57889346 | 82444 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 7 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180522 | 82444 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 7 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888953 | 82456 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180534 | 82456 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758044 | 82450 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82450 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309061 | 163052 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 449 | 11 | 3 | 6 | 1.8 | CN(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL420359 | 163052 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 449 | 11 | 3 | 6 | 1.8 | CN(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| 69437285 | 103855 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 5 | 3 | 6 | 2.1 | O=c1[nH]c(=O)c2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099954 | 103855 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 5 | 3 | 6 | 2.1 | O=c1[nH]c(=O)c2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| 68816399 | 103860 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 5 | 2 | 5 | 2.8 | N[C@H](COc1cccc2ccc(=O)[nH]c12)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099959 | 103860 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 5 | 2 | 5 | 2.8 | N[C@H](COc1cccc2ccc(=O)[nH]c12)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 44309219 | 101642 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302320 | 101642 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 21071066 | 86475 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 3.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322889 | 86475 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 3.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 44309077 | 202625 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL71499 | 202625 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 21071098 | 86522 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 431 | 4 | 0 | 6 | 3.1 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323420 | 86522 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 431 | 4 | 0 | 6 | 3.1 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 44453528 | 97091 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270564 | 97091 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25231481 | 176430 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL462644 | 176430 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 24758175 | 82390 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 454 | 5 | 1 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180196 | 82390 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 454 | 5 | 1 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453228 | 94954 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256888 | 94954 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| 44309235 | 101643 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1nccc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL302328 | 101643 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1nccc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 44309194 | 201845 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66457 | 201845 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 25174628 | 129748 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679649 | 129748 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174628 | 129748 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679649 | 129748 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44453084 | 94824 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256264 | 94824 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11166434 | 144748 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 1 | 4 | 3.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391301 | 144748 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 1 | 4 | 3.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 512282 | 747 | 55 | None | - | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 747 | 55 | None | - | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 747 | 55 | None | - | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 10670301 | 113612 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33277 | 113612 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888785 | 113974 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334815 | 113974 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889188 | 113975 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334816 | 113975 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 118714037 | 113982 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334823 | 113982 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57840302 | 86447 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 441 | 4 | 0 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(C#N)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322861 | 86447 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 441 | 4 | 0 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(C#N)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 11397004 | 86928 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332937 | 86928 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 57889979 | 90733 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398735 | 90733 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889974 | 90725 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398727 | 90725 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888747 | 90765 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398770 | 90765 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10030344 | 103850 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 431 | 6 | 3 | 5 | 3.0 | NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099949 | 103850 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 431 | 6 | 3 | 5 | 3.0 | NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 57889484 | 90759 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398764 | 90759 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44453584 | 97474 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272523 | 97474 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453557 | 155012 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 4.2 | N#CC1(c2ccc(Cl)cc2)CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404301 | 155012 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 4.2 | N#CC1(c2ccc(Cl)cc2)CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309192 | 102708 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 10 | 4 | 6 | 2.8 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL308209 | 102708 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 10 | 4 | 6 | 2.8 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 512282 | 747 | 55 | None | -147 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 747 | 55 | None | -147 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 747 | 55 | None | -147 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 44430713 | 86289 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86289 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57888949 | 82442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 5 | 2 | 2 | 4.9 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180520 | 82442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 5 | 2 | 2 | 4.9 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430745 | 141519 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387822 | 141519 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10698568 | 11076 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178613 | 11076 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34732 | 11076 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 9889700 | 118083 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL34166 | 118083 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44537841 | 668 | 8 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 44430750 | 86828 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 583 | 11 | 2 | 8 | 3.4 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL233042 | 86828 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 583 | 11 | 2 | 8 | 3.4 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309074 | 202147 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68581 | 202147 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 58778007 | 86523 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 2.6 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323421 | 86523 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 2.6 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 49865900 | 16007 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224118 | 16007 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 10049290 | 202270 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 10049290 | 202270 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69411 | 202270 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL69411 | 202270 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71453837 | 82422 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180500 | 82422 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 9894714 | 11882 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183117 | 11882 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL280751 | 11882 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 11813735 | 117642 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 12 | 3 | 4 | 5.3 | CN(C)CCNC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL340797 | 117642 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 12 | 3 | 4 | 5.3 | CN(C)CCNC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44309185 | 202686 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 10 | 3 | 5 | 3.9 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL71903 | 202686 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 10 | 3 | 5 | 3.9 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 10555551 | 11066 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178575 | 11066 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33104 | 11066 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 71570634 | 86933 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332942 | 86933 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57840380 | 86456 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 6 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CNC(C)=O)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322870 | 86456 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 6 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CNC(C)=O)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233579 | 176307 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL461590 | 176307 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 44453363 | 97077 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270433 | 97077 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| 49865951 | 16023 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224189 | 16023 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 118714035 | 113980 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334821 | 113980 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57840482 | 86446 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 542 | 4 | 0 | 5 | 3.8 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(I)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322860 | 86446 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 542 | 4 | 0 | 5 | 3.8 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(I)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430758 | 142278 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL389293 | 142278 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309286 | 101864 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL303673 | 101864 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44309143 | 201797 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66159 | 201797 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| 68956901 | 90360 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391809 | 90360 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889649 | 90731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398733 | 90731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 69435853 | 103852 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.9 | O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099951 | 103852 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.9 | O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| 73350585 | 90716 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398718 | 90716 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889291 | 90734 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398736 | 90734 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10368788 | 90347 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391796 | 90347 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 11764610 | 90357 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.1 | CO[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391806 | 90357 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.1 | CO[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889883 | 82387 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180193 | 82387 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758047 | 82423 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180501 | 82423 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 25233580 | 189238 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 | 10.1021/jm801416q | ||
| CHEMBL516495 | 189238 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 | 10.1021/jm801416q | ||
| 44453502 | 154604 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402110 | 154604 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10391877 | 90381 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 517 | 9 | 4 | 7 | 2.1 | CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391935 | 90381 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 517 | 9 | 4 | 7 | 2.1 | CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 11734303 | 168012 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 547 | 9 | 3 | 3 | 6.5 | CC(C)(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL435812 | 168012 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 547 | 9 | 3 | 3 | 6.5 | CC(C)(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 10580015 | 11073 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178597 | 11073 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33929 | 11073 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 10000888 | 75624 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 4.2 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL20539 | 75624 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 4.2 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 44430732 | 87520 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 514 | 9 | 2 | 7 | 3.4 | CCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234073 | 87520 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 514 | 9 | 2 | 7 | 3.4 | CCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25233581 | 176403 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 3.9 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 | 10.1021/jm801416q | ||
| CHEMBL462441 | 176403 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 3.9 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 | 10.1021/jm801416q | ||
| 57840522 | 86450 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 504 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(F)(F)F)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322864 | 86450 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 504 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(F)(F)F)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 6918497 | 112931 | 1 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 112931 | 1 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 112931 | 1 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 12425 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 44309364 | 202222 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69123 | 202222 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44430759 | 86720 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 496 | 7 | 2 | 6 | 3.6 | CNc1c(Nc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232655 | 86720 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 496 | 7 | 2 | 6 | 3.6 | CNc1c(Nc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10623381 | 16722 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL125111 | 16722 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 25174463 | 129746 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679647 | 129746 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174463 | 129746 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679647 | 129746 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 21070984 | 86463 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322877 | 86463 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 24758044 | 82450 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2180528 | 82450 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430715 | 143983 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 8 | 2 | 7 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL390706 | 143983 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 8 | 2 | 7 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453402 | 95129 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257698 | 95129 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11072063 | 16428 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 597 | 11 | 3 | 4 | 7.2 | COc1ccc(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm0201767 | ||
| CHEMBL124084 | 16428 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 597 | 11 | 3 | 4 | 7.2 | COc1ccc(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm0201767 | ||
| 59444266 | 174132 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 2 | 4 | 4.4 | CC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| CHEMBL4559773 | 174132 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 2 | 4 | 4.4 | CC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| 10480588 | 90384 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 3.5 | COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391938 | 90384 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 3.5 | COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 68818964 | 103859 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 427 | 5 | 2 | 6 | 2.3 | N[C@H](COc1cccc2c1NC(=O)CO2)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099958 | 103859 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 427 | 5 | 2 | 6 | 2.3 | N[C@H](COc1cccc2c1NC(=O)CO2)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 12425 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 12112109 | 144654 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 8 | 3 | 5 | 3.1 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2NC(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391238 | 144654 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 8 | 3 | 5 | 3.1 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2NC(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57840435 | 86428 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 424 | 5 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322844 | 86428 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 424 | 5 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 58778003 | 86444 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322859 | 86444 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758295 | 82427 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180505 | 82427 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309312 | 202082 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68145 | 202082 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44309337 | 202262 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69375 | 202262 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71680936 | 90748 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398750 | 90748 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10254761 | 90349 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 2.6 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391798 | 90349 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 2.6 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889649 | 90731 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398733 | 90731 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 24759420 | 82435 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 5 | 1 | 2 | 5.7 | CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180513 | 82435 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 5 | 1 | 2 | 5.7 | CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453403 | 94693 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255629 | 94693 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44430736 | 152940 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 576 | 10 | 2 | 7 | 4.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397956 | 152940 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 576 | 10 | 2 | 7 | 4.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453263 | 155101 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404732 | 155101 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10695296 | 99381 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL285703 | 99381 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| 10816699 | 11072 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 6 | 1 | 1 | 5.9 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178593 | 11072 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 6 | 1 | 1 | 5.9 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33761 | 11072 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 6 | 1 | 1 | 5.9 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| 10695296 | 99381 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL285703 | 99381 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44309091 | 202046 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 439 | 10 | 3 | 4 | 4.2 | CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1)C(N)=O | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL67809 | 202046 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 439 | 10 | 3 | 4 | 4.2 | CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1)C(N)=O | 10.1016/j.bmcl.2004.02.020 | ||
| 59444207 | 171272 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.4 | CC(C)[C@@H](CNC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL4468705 | 171272 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.4 | CC(C)[C@@H](CNC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 49865901 | 16010 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224121 | 16010 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2010.07.082 | ||
| 59474969 | 129757 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679658 | 129757 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 59474969 | 129757 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679658 | 129757 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 24758745 | 82420 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 412 | 7 | 1 | 2 | 4.6 | CC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180498 | 82420 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 412 | 7 | 1 | 2 | 4.6 | CC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309245 | 201752 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL65784 | 201752 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| 57888886 | 82451 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 6 | 2 | 4 | 4.1 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180529 | 82451 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 6 | 2 | 4 | 4.1 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 25174629 | 129747 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679648 | 129747 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174629 | 129747 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679648 | 129747 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 9999626 | 87637 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 3.6 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234622 | 87637 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 3.6 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 44430752 | 87569 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87569 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57889944 | 82465 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180543 | 82465 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10032207 | 90354 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 536 | 6 | 3 | 7 | 3.1 | O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391803 | 90354 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 536 | 6 | 3 | 7 | 3.1 | O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 68963698 | 90358 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 2.6 | CC(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391807 | 90358 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 2.6 | CC(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10094211 | 90345 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.1 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391794 | 90345 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.1 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 44453467 | 95288 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258359 | 95288 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10985078 | 114240 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm0201767 | ||
| CHEMBL333865 | 114240 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm0201767 | ||
| 57889635 | 113978 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 435 | 4 | 2 | 3 | 3.6 | CC(C)[C@@H](NC(=O)N1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334819 | 113978 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 435 | 4 | 2 | 3 | 3.6 | CC(C)[C@@H](NC(=O)N1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 68818375 | 86929 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 7 | 2 | 6 | 3.0 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332938 | 86929 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 7 | 2 | 6 | 3.0 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 44309397 | 202112 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68366 | 202112 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888707 | 90763 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398768 | 90763 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10555551 | 11066 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178575 | 11066 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33104 | 11066 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57888900 | 90762 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398767 | 90762 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888966 | 90766 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398771 | 90766 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 72945511 | 103847 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 485 | 8 | 3 | 6 | 3.3 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099946 | 103847 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 485 | 8 | 3 | 6 | 3.3 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44430725 | 167200 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(C)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL430356 | 167200 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(C)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25022507 | 154886 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403728 | 154886 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453361 | 166769 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429419 | 166769 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21070989 | 86461 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86461 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453165 | 95291 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258362 | 95291 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453229 | 94955 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256889 | 94955 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57840460 | 86440 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322855 | 86440 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430722 | 86412 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 2.3 | CNc1c(Nc2ccccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232252 | 86412 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 2.3 | CNc1c(Nc2ccccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 1370410 | 86474 | 11 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322888 | 86474 | 11 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 25174306 | 129744 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679645 | 129744 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174306 | 129744 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679645 | 129744 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889234 | 82452 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 398 | 5 | 2 | 3 | 3.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180530 | 82452 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 398 | 5 | 2 | 3 | 3.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| 44453167 | 95292 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258363 | 95292 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57991690 | 82438 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180516 | 82438 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430746 | 86689 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 86689 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430748 | 86793 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 86793 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57840315 | 86433 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 412 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CO)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322849 | 86433 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 412 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CO)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430717 | 86333 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 518 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232043 | 86333 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 518 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453225 | 95294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258368 | 95294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21071094 | 86476 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322890 | 86476 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 21071099 | 86520 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 454 | 3 | 0 | 4 | 4.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323419 | 86520 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 454 | 3 | 0 | 4 | 4.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 59444200 | 172620 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 4.6 | CCOC(=O)c1cc(C2(O)CCN(C(=O)CC(C)(C)NC(=O)c3ccccc3)CC2(C)C)ccc1Cl | nan | ||
| CHEMBL4522473 | 172620 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 4.6 | CCOC(=O)c1cc(C2(O)CCN(C(=O)CC(C)(C)NC(=O)c3ccccc3)CC2(C)C)ccc1Cl | nan | ||
| 25176401 | 129742 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679643 | 129742 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 25176401 | 129742 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679643 | 129742 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 512282 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 767 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| CHEMBL232656 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 512282 | 747 | 55 | None | -147 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 767 | 747 | 55 | None | -147 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| CHEMBL232656 | 747 | 55 | None | -147 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 25109291 | 190792 | 9 | None | 56 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 190792 | 9 | None | 56 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 57889392 | 126541 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 5 | 3 | 3 | 3.5 | CC(C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| CHEMBL3656279 | 126541 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 5 | 3 | 3 | 3.5 | CC(C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| 57889423 | 90745 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL2398747 | 90745 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 512282 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 767 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| CHEMBL232656 | 747 | 55 | None | 147 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 10371087 | 82156 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 584 | 6 | 2 | 5 | 6.0 | NCC1CCCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 | 10.1021/jm300682j | ||
| CHEMBL2178571 | 82156 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 584 | 6 | 2 | 5 | 6.0 | NCC1CCCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 | 10.1021/jm300682j | ||
| 10111333 | 174894 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 174894 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71461438 | 83562 | 0 | None | -100 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207082 | 83562 | 0 | None | -100 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214725 | 83563 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207083 | 83563 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71461439 | 83567 | 0 | None | -10 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207087 | 83567 | 0 | None | -10 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71452488 | 83573 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207093 | 83573 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71461440 | 83577 | 0 | None | -31 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207097 | 83577 | 0 | None | -31 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 15604497 | 83579 | 0 | None | -39 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207099 | 83579 | 0 | None | -39 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10809142 | 35141 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1 | 10.1021/jm990316l | ||
| CHEMBL143741 | 35141 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1 | 10.1021/jm990316l | ||
| 68557448 | 169654 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.2 | COc1cccc(N2CCC(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | nan | ||
| CHEMBL4445508 | 169654 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.2 | COc1cccc(N2CCC(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | nan | ||
| 10788075 | 118908 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344751 | 118908 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10111333 | 174894 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 174894 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155568814 | 175491 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.8 | COc1cc(N2CCC(C(O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl | nan | ||
| CHEMBL4590794 | 175491 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.8 | COc1cc(N2CCC(C(O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl | nan | ||
| 10599794 | 33992 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.3 | CN(C)c1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL142628 | 33992 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.3 | CN(C)c1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10526132 | 72132 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL142004 | 72132 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL198935 | 72132 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| 44362079 | 118667 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 5.2 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL343032 | 118667 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 5.2 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| 24863547 | 174143 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 5 | 1 | 5 | 5.4 | COc1cc(N2CCC(C(N)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4559982 | 174143 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 5 | 1 | 5 | 5.4 | COc1cc(N2CCC(C(N)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl | nan | ||
| 10811393 | 34662 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143194 | 34662 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 24863719 | 175299 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 5.2 | COc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | nan | ||
| CHEMBL4586066 | 175299 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 5.2 | COc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | nan | ||
| 71214976 | 83582 | 0 | None | -100 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207101 | 83582 | 0 | None | -100 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10547456 | 119081 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| CHEMBL346205 | 119081 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| 10503785 | 120606 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| CHEMBL357434 | 120606 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| 10528677 | 167967 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.6 | N#CC(CCCN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL435480 | 167967 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.6 | N#CC(CCCN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10812461 | 78437 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 7 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL2112832 | 78437 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 7 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10133557 | 171972 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483771 | 171972 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10645391 | 33364 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 8 | 1 | 4 | 5.1 | CCOc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL142107 | 33364 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 8 | 1 | 4 | 5.1 | CCOc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10133557 | 171972 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483771 | 171972 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 68552829 | 170745 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 3.2 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl | nan | ||
| CHEMBL4461035 | 170745 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 3.2 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl | nan | ||
| 12093167 | 171759 | 30 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4475389 | 171759 | 30 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093167 | 171759 | 30 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4475389 | 171759 | 30 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10743274 | 118810 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344075 | 118810 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 68551780 | 173574 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.5 | COc1cc(N2CCC(C(O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl | nan | ||
| CHEMBL4546480 | 173574 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.5 | COc1cc(N2CCC(C(O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl | nan | ||
| 10833944 | 118251 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| CHEMBL341840 | 118251 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| 71214710 | 83565 | 0 | None | -100 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207085 | 83565 | 0 | None | -100 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71452487 | 83568 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207088 | 83568 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454247 | 83570 | 0 | None | -15 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207090 | 83570 | 0 | None | -15 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71456008 | 83575 | 0 | None | -25 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207095 | 83575 | 0 | None | -25 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
| 3798520 | 169878 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4448679 | 169878 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3798520 | 169878 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4448679 | 169878 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3063068 | 33039 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 6.2 | Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc32)CC1 | 10.1021/jm990316l | ||
| CHEMBL141829 | 33039 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 6.2 | Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc32)CC1 | 10.1021/jm990316l | ||
| 9967166 | 169406 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4441958 | 169406 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967166 | 169406 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4441958 | 169406 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155535265 | 171453 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4471583 | 171453 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155532102 | 171162 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467095 | 171162 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155532102 | 171162 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467095 | 171162 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155535265 | 171453 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4471583 | 171453 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155561022 | 174403 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4566226 | 174403 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155553428 | 173617 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4547735 | 173617 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155561022 | 174403 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4566226 | 174403 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 54712652 | 169416 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4442093 | 169416 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155553428 | 173617 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4547735 | 173617 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71463166 | 83576 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207096 | 83576 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
| 57889188 | 113975 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| CHEMBL3334816 | 113975 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| 71462570 | 82154 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| CHEMBL2178569 | 82154 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| 57889334 | 90741 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| CHEMBL2398743 | 90741 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| 54712652 | 169416 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4442093 | 169416 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3063066 | 33527 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 5 | 1 | 4 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142244 | 33527 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 5 | 1 | 4 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10695080 | 12096 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL1184276 | 12096 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL342444 | 12096 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| 10645313 | 32082 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL141020 | 32082 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10132885 | 174566 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4569870 | 174566 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10132885 | 174566 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4569870 | 174566 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10076510 | 11534 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1180795 | 11534 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL143374 | 11534 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 9850002 | 34854 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 4 | 6.6 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143350 | 34854 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 4 | 6.6 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 68556971 | 169915 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 474 | 7 | 2 | 6 | 3.3 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CO)CC2)ccc1Cl | nan | ||
| CHEMBL4449145 | 169915 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 474 | 7 | 2 | 6 | 3.3 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CO)CC2)ccc1Cl | nan | ||
| 68556936 | 171767 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 2 | 7 | 3.0 | COc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl | nan | ||
| CHEMBL4475524 | 171767 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 2 | 7 | 3.0 | COc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl | nan | ||
| 10530837 | 35222 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 5 | 1 | 4 | 7.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143814 | 35222 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 5 | 1 | 4 | 7.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10293022 | 170532 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4457687 | 170532 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10554359 | 34051 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 536 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(I)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142676 | 34051 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 536 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(I)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10766333 | 34912 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2Oc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143449 | 34912 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2Oc2ccccc21 | 10.1021/jm990316l | ||
| 10690854 | 32529 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| CHEMBL141387 | 32529 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| 10293022 | 170532 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4457687 | 170532 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 5311125 | 34946 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143492 | 34946 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10623381 | 16722 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL125111 | 16722 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 12093162 | 172754 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4526524 | 172754 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71457815 | 83571 | 0 | None | -50 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207091 | 83571 | 0 | None | -50 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 12093162 | 172754 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4526524 | 172754 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967349 | 172496 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4519533 | 172496 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155559153 | 174209 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4561618 | 174209 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155559153 | 174209 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4561618 | 174209 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9902578 | 170789 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4461627 | 170789 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9902578 | 170789 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4461627 | 170789 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967349 | 172496 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4519533 | 172496 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44361881 | 167968 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 500 | 5 | 1 | 3 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL435485 | 167968 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 500 | 5 | 1 | 3 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| 24764465 | 175201 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 556 | 7 | 2 | 6 | 5.0 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)[C@@H](C)O)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4583778 | 175201 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 556 | 7 | 2 | 6 | 5.0 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)[C@@H](C)O)CC2)c(Cl)cc1Cl | nan | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| 155539148 | 172235 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4513770 | 172235 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155539148 | 172235 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4513770 | 172235 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22725647 | 173127 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173127 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10501338 | 120530 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1021/jm990316l | ||
| CHEMBL356764 | 120530 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1021/jm990316l | ||
| 155545804 | 172925 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4530510 | 172925 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22725647 | 173127 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173127 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155545804 | 172925 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4530510 | 172925 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71450658 | 83578 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207098 | 83578 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454248 | 83581 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207100 | 83581 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10649043 | 34331 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142925 | 34331 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| 10717972 | 118846 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344324 | 118846 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10647579 | 35165 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm990316l | ||
| CHEMBL143772 | 35165 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm990316l | ||
| 9956488 | 118733 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL343511 | 118733 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| 10672205 | 118874 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 9 | 1 | 4 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCc2ccccc2)cc1 | 10.1021/jm990316l | ||
| CHEMBL344499 | 118874 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 9 | 1 | 4 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCc2ccccc2)cc1 | 10.1021/jm990316l | ||
| 10670785 | 32901 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.3 | COc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL141713 | 32901 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.3 | COc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 44199443 | 169971 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL4449875 | 169971 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| 10597049 | 33022 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 4.7 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL141817 | 33022 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 4.7 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10837160 | 120609 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 6 | 1 | 3 | 5.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1021/jm990316l | ||
| CHEMBL357445 | 120609 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 6 | 1 | 3 | 5.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1021/jm990316l | ||
| 10596333 | 33431 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1021/jm990316l | ||
| CHEMBL142160 | 33431 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1021/jm990316l | ||
| 9902204 | 169559 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4443909 | 169559 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10503474 | 34085 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142713 | 34085 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 15985912 | 83561 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 83561 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214709 | 83564 | 0 | None | -14 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207084 | 83564 | 0 | None | -14 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454246 | 83569 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207089 | 83569 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
| 87494453 | 174385 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 544 | 7 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CF)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4565880 | 174385 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 544 | 7 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CF)CC2)c(Cl)cc1Cl | nan | ||
| 9902204 | 169559 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4443909 | 169559 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155513751 | 169234 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439354 | 169234 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10694874 | 34746 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCCC1 | 10.1021/jm990316l | ||
| CHEMBL143266 | 34746 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCCC1 | 10.1021/jm990316l | ||
| 10524463 | 164333 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 9 | 1 | 3 | 5.3 | CCCCC1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL422115 | 164333 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 9 | 1 | 3 | 5.3 | CCCCC1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| 10838033 | 118589 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 6 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL342721 | 118589 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 6 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10814504 | 120526 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 5.6 | COC(=O)C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL356718 | 120526 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 5.6 | COC(=O)C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 9845614 | 120769 | 22 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL357919 | 120769 | 22 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 155513751 | 169234 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439354 | 169234 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22335694 | 170992 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4464639 | 170992 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10571296 | 35251 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | Cn1cccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL143840 | 35251 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | Cn1cccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 22335694 | 170992 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4464639 | 170992 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9804868 | 33616 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142318 | 33616 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 9956380 | 167686 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL433746 | 167686 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| 10786180 | 35235 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 6 | 1 | 3 | 4.9 | CC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143825 | 35235 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 6 | 1 | 3 | 4.9 | CC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10573219 | 35359 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1021/jm990316l | ||
| CHEMBL143942 | 35359 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1021/jm990316l | ||
| 22335665 | 172895 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4529804 | 172895 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093163 | 173830 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4552420 | 173830 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22335665 | 172895 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4529804 | 172895 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10695227 | 35098 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 9 | 1 | 6 | 4.7 | COc1cc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc(OC)c1OC | 10.1021/jm990316l | ||
| CHEMBL143690 | 35098 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 9 | 1 | 6 | 4.7 | COc1cc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc(OC)c1OC | 10.1021/jm990316l | ||
| 10195332 | 82155 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 9 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1021/jm300682j | ||
| CHEMBL2178570 | 82155 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 9 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1021/jm300682j | ||
| 54671008 | 94485 | 97 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | 10.1021/jm300682j | ||
| CHEMBL254316 | 94485 | 97 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | 10.1021/jm300682j | ||
| 155521447 | 170017 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170017 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 87496446 | 170211 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 4.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CO)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4452884 | 170211 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 4.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CO)CC2)c(Cl)cc1Cl | nan | ||
| 155521447 | 170017 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170017 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 169269 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169269 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 169269 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169269 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093163 | 173830 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4552420 | 173830 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 15985914 | 83560 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207080 | 83560 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71450657 | 83574 | 0 | None | -19 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207094 | 83574 | 0 | None | -19 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10789482 | 33464 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142191 | 33464 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10549688 | 164816 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 1 | 5 | 4.6 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm990316l | ||
| CHEMBL423734 | 164816 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 1 | 5 | 4.6 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm990316l | ||
| 9889700 | 118083 | 13 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL34166 | 118083 | 13 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 9967465 | 171521 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4472384 | 171521 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10764931 | 118763 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 5 | 4.0 | COC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL343680 | 118763 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 5 | 4.0 | COC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10667913 | 33434 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1021/jm990316l | ||
| CHEMBL142161 | 33434 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1021/jm990316l | ||
| 2868511 | 42385 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL1500746 | 42385 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10499297 | 34511 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 6 | 1 | 3 | 4.7 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143059 | 34511 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 6 | 1 | 3 | 4.7 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 9870787 | 34639 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143173 | 34639 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| 9857981 | 170220 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453024 | 170220 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9945265 | 170617 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4459033 | 170617 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 2868511 | 42385 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL1500746 | 42385 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967465 | 171521 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4472384 | 171521 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9857981 | 170220 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453024 | 170220 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9945265 | 170617 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4459033 | 170617 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9869274 | 118808 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL344073 | 118808 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| 9924108 | 171207 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467708 | 171207 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9924108 | 171207 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467708 | 171207 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10737864 | 121059 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1 | 10.1021/jm990316l | ||
| CHEMBL358596 | 121059 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1 | 10.1021/jm990316l | ||
| 11801020 | 12142 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1184558 | 12142 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL356099 | 12142 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 24863549 | 169840 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 6 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(C)=O)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4448154 | 169840 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 6 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(C)=O)CC2)c(Cl)cc1Cl | nan | ||
| 10768343 | 118237 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 522 | 5 | 1 | 4 | 6.9 | N#CC1(CCCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL341769 | 118237 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 522 | 5 | 1 | 4 | 6.9 | N#CC1(CCCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 155526680 | 170563 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4458295 | 170563 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155526680 | 170563 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4458295 | 170563 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3794409 | 170189 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4452558 | 170189 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3794409 | 170189 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4452558 | 170189 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9870787 | 34639 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143173 | 34639 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| 10813846 | 31212 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc3ccccc3c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL140270 | 31212 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc3ccccc3c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 3497 | 1158 | 20 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| 5311123 | 1158 | 20 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| CHEMBL1628706 | 1158 | 20 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| 10766998 | 33801 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| CHEMBL142468 | 33801 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| 10693630 | 78435 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 8 | 1 | 3 | 5.3 | N#CC(CCCN1CCC(CO)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL2112830 | 78435 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 8 | 1 | 3 | 5.3 | N#CC(CCCN1CCC(CO)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 155548977 | 173223 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4538013 | 173223 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155548977 | 173223 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4538013 | 173223 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10575889 | 33468 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142199 | 33468 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10643770 | 34176 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1O | 10.1021/jm990316l | ||
| CHEMBL142798 | 34176 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1O | 10.1021/jm990316l | ||
| 71463165 | 83566 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207086 | 83566 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71456007 | 83572 | 0 | None | -5 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207092 | 83572 | 0 | None | -5 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10722083 | 72233 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 7 | 1 | 2 | 6.1 | C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL141127 | 72233 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 7 | 1 | 2 | 6.1 | C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL199252 | 72233 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 7 | 1 | 2 | 6.1 | C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 3796276 | 170283 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453953 | 170283 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3796276 | 170283 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453953 | 170283 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9959839 | 34126 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 574 | 10 | 4 | 4 | 5.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCNCC1 | 10.1021/jm990316l | ||
| CHEMBL142752 | 34126 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 574 | 10 | 4 | 4 | 5.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCNCC1 | 10.1021/jm990316l | ||
| 10525695 | 120984 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL358283 | 120984 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 11798220 | 33548 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1 | 10.1021/jm990316l | ||
| CHEMBL142263 | 33548 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1 | 10.1021/jm990316l | ||
| 10789018 | 34950 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL143499 | 34950 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10548809 | 118666 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 7 | 1 | 3 | 5.3 | CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL343028 | 118666 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 7 | 1 | 3 | 5.3 | CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44199443 | 169971 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL4449875 | 169971 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| 10810107 | 36686 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 | 10.1021/jm990316l | ||
| CHEMBL145106 | 36686 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 | 10.1021/jm990316l | ||
| 10572669 | 118936 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL344989 | 118936 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 10576419 | 33976 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142620 | 33976 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 44537841 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| 57889181 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| 9497 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| CHEMBL2398716 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| CHEMBL3334824 | 668 | 8 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| 3497 | 1158 | 20 | None | 2 | 3 | Human | 8.0 | pKd | = | 8 | Binding | Guide to Pharmacology | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 12909630 | ||
| 5311123 | 1158 | 20 | None | 2 | 3 | Human | 8.0 | pKd | = | 8 | Binding | Guide to Pharmacology | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 12909630 | ||
| CHEMBL1628706 | 1158 | 20 | None | 2 | 3 | Human | 8.0 | pKd | = | 8 | Binding | Guide to Pharmacology | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 12909630 | ||
| 54671008 | 94485 | 97 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | None | ||
| CHEMBL254316 | 94485 | 97 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | None | ||
| 753 | 816 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 757 | 849 | 0 | None | -112 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 757 | 849 | 0 | None | -112 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 8530354 | ||||
| 758 | 851 | 0 | None | -89 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 8530354 | ||||
| 758 | 851 | 0 | None | -89 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9624164 | ||||
| 759 | 854 | 0 | None | -6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 11994538 | ||||
| 759 | 854 | 0 | None | -6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 512282 | 747 | 55 | None | 147 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10748002 | ||
| 767 | 747 | 55 | None | 147 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10748002 | ||
| CHEMBL232656 | 747 | 55 | None | 147 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10748002 | ||
| 755 | 835 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 756 | 845 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 756 | 845 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 756 | 845 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8530354 | ||||
| 756 | 845 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9624164 | ||||
| 760 | 1625 | 0 | None | -3 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 752 | 702 | 0 | None | 12 | 2 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||