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 |
| 10367574 | 13832 | 0 | None | - | 1 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 472 | 2 | 0 | 6 | 6.2 | Cc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2 | 10.1021/jm00018a012 | ||
| CHEMBL119660 | 13832 | 0 | None | - | 1 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 472 | 2 | 0 | 6 | 6.2 | Cc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2 | 10.1021/jm00018a012 | ||
| 10028664 | 163182 | 0 | None | - | 1 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 493 | 3 | 0 | 7 | 5.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn4c3N(CCCC4)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL420527 | 163182 | 0 | None | - | 1 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 493 | 3 | 0 | 7 | 5.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn4c3N(CCCC4)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10479006 | 13482 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 451 | 2 | 1 | 5 | 6.5 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3N=C(S)C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL119412 | 13482 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 451 | 2 | 1 | 5 | 6.5 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3N=C(S)C2)cc1 | 10.1021/jm00018a011 | ||
| 10071745 | 109974 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 436 | 2 | 1 | 4 | 5.7 | Cc1nc2cnccc2n1-c1ccc(C2CC(=O)Nc3cc(Cl)c(Cl)cc3C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL324709 | 109974 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 436 | 2 | 1 | 4 | 5.7 | Cc1nc2cnccc2n1-c1ccc(C2CC(=O)Nc3cc(Cl)c(Cl)cc3C2)cc1 | 10.1021/jm00018a011 | ||
| 10478956 | 114479 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 450 | 2 | 0 | 4 | 5.7 | Cc1nc2cnccc2n1-c1ccc(C2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL334275 | 114479 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 450 | 2 | 0 | 4 | 5.7 | Cc1nc2cnccc2n1-c1ccc(C2CC(=O)N(C)c3cc(Cl)c(Cl)cc3C2)cc1 | 10.1021/jm00018a011 | ||
| 10322057 | 13417 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 461 | 3 | 0 | 7 | 4.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL119371 | 13417 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 461 | 3 | 0 | 7 | 4.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL106908 | 5282 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 586 | 9 | 1 | 9 | 6.3 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)N=C(C)/C(=C(/O)OCCOC)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10024618 | 167727 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 2 | 1 | 5 | 5.8 | Cc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(S)=N2 | 10.1021/jm00018a011 | ||
| CHEMBL434028 | 167727 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 2 | 1 | 5 | 5.8 | Cc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(S)=N2 | 10.1021/jm00018a011 | ||
| 10458486 | 109873 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 495 | 3 | 0 | 7 | 5.3 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccc(Cl)cc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL324121 | 109873 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 495 | 3 | 0 | 7 | 5.3 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccc(Cl)cc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 135507267 | 110880 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 447 | 3 | 1 | 7 | 4.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL327034 | 110880 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 447 | 3 | 1 | 7 | 4.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn(C)c3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10453303 | 112819 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 395 | 2 | 1 | 5 | 4.8 | Cc1cc2c(cc1C)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a011 | ||
| CHEMBL331566 | 112819 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 395 | 2 | 1 | 5 | 4.8 | Cc1cc2c(cc1C)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a011 | ||
| 10027595 | 13829 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 467 | 3 | 0 | 7 | 5.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL119659 | 13829 | 0 | None | - | 1 | Guinea pig | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 467 | 3 | 0 | 7 | 5.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 11754521 | 13490 | 0 | None | - | 1 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 471 | 6 | 0 | 8 | 4.1 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(COCC(C)C)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL119417 | 13490 | 0 | None | - | 1 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 471 | 6 | 0 | 8 | 4.1 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(COCC(C)C)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10003131 | 10007 | 0 | None | - | 1 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 435 | 2 | 1 | 5 | 5.5 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL115529 | 10007 | 0 | None | - | 1 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 435 | 2 | 1 | 5 | 5.5 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| 10068655 | 167390 | 0 | None | - | 1 | Guinea pig | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 385 | 2 | 1 | 7 | 3.2 | Cc1nn(C)c2c1NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL431664 | 167390 | 0 | None | - | 1 | Guinea pig | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 385 | 2 | 1 | 7 | 3.2 | Cc1nn(C)c2c1NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 10367575 | 61510 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 472 | 2 | 0 | 6 | 6.2 | Cc1cnc2n1-c1cc(Cl)c(Cl)cc1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)C2 | 10.1021/jm00018a012 | ||
| CHEMBL177351 | 61510 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 472 | 2 | 0 | 6 | 6.2 | Cc1cnc2n1-c1cc(Cl)c(Cl)cc1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)C2 | 10.1021/jm00018a012 | ||
| 10386862 | 10952 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 410 | 2 | 0 | 6 | 4.2 | Cc1cc(C)c2c(n1)N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL117733 | 10952 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 410 | 2 | 0 | 6 | 4.2 | Cc1cc(C)c2c(n1)N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 10341961 | 13350 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 418 | 2 | 0 | 6 | 5.2 | Cc1cc2c(cc1C)-n1ccnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL119317 | 13350 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 418 | 2 | 0 | 6 | 5.2 | Cc1cc2c(cc1C)-n1ccnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL318172 | 106948 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 584 | 6 | 1 | 8 | 7.5 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)N=C(C)/C(=C(/O)OC(C)(C)C)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10004469 | 167369 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 460 | 2 | 0 | 6 | 4.4 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL431470 | 167369 | 0 | None | - | 1 | Guinea pig | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 460 | 2 | 0 | 6 | 4.4 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10096132 | 114089 | 0 | None | - | 1 | Guinea pig | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 467 | 3 | 0 | 8 | 4.7 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4cccs4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL333780 | 114089 | 0 | None | - | 1 | Guinea pig | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 467 | 3 | 0 | 8 | 4.7 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4cccs4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL106350 | 5180 | 0 | None | - | 1 | Guinea pig | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 542 | 6 | 1 | 8 | 6.3 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)N=C(C)/C(=C(/O)OC)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10095715 | 13519 | 0 | None | - | 1 | Guinea pig | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 458 | 2 | 0 | 6 | 5.9 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3-n3ccnc3C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL119439 | 13519 | 0 | None | - | 1 | Guinea pig | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 458 | 2 | 0 | 6 | 5.9 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3-n3ccnc3C2)cc1 | 10.1021/jm00018a012 | ||
| 15005338 | 5197 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 564 | 7 | 2 | 6 | 6.7 | CCOC(=O)C1=C(c2ccc(-c3cccnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL106475 | 5197 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 564 | 7 | 2 | 6 | 6.7 | CCOC(=O)C1=C(c2ccc(-c3cccnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10340604 | 13414 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 394 | 2 | 1 | 6 | 4.9 | Cc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(N)=N2 | 10.1021/jm00018a011 | ||
| CHEMBL119366 | 13414 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 394 | 2 | 1 | 6 | 4.9 | Cc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(N)=N2 | 10.1021/jm00018a011 | ||
| 10024561 | 13308 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 410 | 5 | 0 | 4 | 3.8 | CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL1192837 | 13308 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 410 | 5 | 0 | 4 | 3.8 | CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL3216197 | 13308 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 410 | 5 | 0 | 4 | 3.8 | CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm00100a018 | ||
| 10319288 | 106813 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL317193 | 106813 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 9978062 | 114989 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 396 | 5 | 0 | 4 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL335113 | 114989 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 396 | 5 | 0 | 4 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 15005355 | 109393 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 584 | 7 | 2 | 7 | 7.0 | CCOC(=O)C1=C(c2ccc(-c3sc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL323429 | 109393 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 584 | 7 | 2 | 7 | 7.0 | CCOC(=O)C1=C(c2ccc(-c3sc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10319288 | 106813 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL317193 | 106813 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 11765208 | 12125 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 539 | 20 | 0 | 4 | 7.7 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CCC)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| CHEMBL1184447 | 12125 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 539 | 20 | 0 | 4 | 7.7 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CCC)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| CHEMBL349327 | 12125 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 539 | 20 | 0 | 4 | 7.7 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CCC)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| 131088 | 96779 | 5 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL268596 | 96779 | 5 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075907 | 96858 | 4 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.6 | CCCC(C)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL269133 | 96858 | 4 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.6 | CCCC(C)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 462400 | 96859 | 4 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 617 | 11 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCC(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL269134 | 96859 | 4 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 617 | 11 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCC(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 19829358 | 11591 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 598 | 24 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1csc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181209 | 11591 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 598 | 24 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1csc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL159007 | 11591 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 598 | 24 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1csc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14885631 | 34716 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 332 | 0 | 0 | 2 | 3.9 | CC(=O)N1CCC(=C2c3ccc(C)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL143242 | 34716 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 332 | 0 | 0 | 2 | 3.9 | CC(=O)N1CCC(=C2c3ccc(C)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 14554146 | 118614 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 354 | 0 | 0 | 2 | 3.9 | CC(=O)N1CCC(=C2c3cc(F)c(F)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL342747 | 118614 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 354 | 0 | 0 | 2 | 3.9 | CC(=O)N1CCC(=C2c3cc(F)c(F)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 10348471 | 11556 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1ccc(CN(Cc2cc[n+](C)cc2)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL1181099 | 11556 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1ccc(CN(Cc2cc[n+](C)cc2)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL155590 | 11556 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1ccc(CN(Cc2cc[n+](C)cc2)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| 10326369 | 11551 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 481 | 13 | 0 | 3 | 6.5 | CCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL1181069 | 11551 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 481 | 13 | 0 | 3 | 6.5 | CCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL154537 | 11551 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 481 | 13 | 0 | 3 | 6.5 | CCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| 14785938 | 12066 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 526 | 25 | 0 | 4 | 8.0 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+]2(C)CCOCC2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184208 | 12066 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 526 | 25 | 0 | 4 | 8.0 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+]2(C)CCOCC2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL339006 | 12066 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 526 | 25 | 0 | 4 | 8.0 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+]2(C)CCOCC2)O1 | 10.1021/jm00105a058 | ||
| 44268122 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178068 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12439 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12882 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 10258772 | 161299 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 656 | 13 | 0 | 11 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(F)cc3)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL414696 | 161299 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 656 | 13 | 0 | 11 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(F)cc3)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 14992435 | 168627 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 575 | 19 | 0 | 7 | 7.6 | CCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL440663 | 168627 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 575 | 19 | 0 | 7 | 7.6 | CCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| 44267856 | 10837 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 616 | 26 | 1 | 7 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP(=O)([O-])OCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11731 | 10837 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 616 | 26 | 1 | 7 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP(=O)([O-])OCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10048003 | 13407 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 424 | 7 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1193633 | 13407 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 424 | 7 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3216401 | 13407 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 424 | 7 | 0 | 4 | 3.9 | N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 44344947 | 163333 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 420 | 2 | 0 | 8 | 4.0 | Cc1cc2c(cc1C)-n1nnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL420697 | 163333 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 420 | 2 | 0 | 8 | 4.0 | Cc1cc2c(cc1C)-n1nnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 20066875 | 11582 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181185 | 11582 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL158384 | 11582 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 10407257 | 4660 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 2.5 | CNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL103596 | 4660 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 2.5 | CNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00105a058 | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00105a058 | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00105a058 | ||
| 44350001 | 11361 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180380 | 11361 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL124534 | 11361 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL127678 | 11361 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL104978 | 4922 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 6.1 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)Nc2cccc(C)n2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 44371923 | 11602 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 634 | 27 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCCC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181243 | 11602 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 634 | 27 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCCC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL160530 | 11602 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 634 | 27 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCCC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14785994 | 11377 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 535 | 20 | 0 | 6 | 5.9 | CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180405 | 11377 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 535 | 20 | 0 | 6 | 5.9 | CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125465 | 11377 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 535 | 20 | 0 | 6 | 5.9 | CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 10484537 | 11547 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cc[n+](C)cc2)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL1181064 | 11547 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cc[n+](C)cc2)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL154459 | 11547 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cc[n+](C)cc2)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| 19829284 | 11859 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 598 | 25 | 1 | 6 | 7.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1182953 | 11859 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 598 | 25 | 1 | 6 | 7.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL273776 | 11859 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 598 | 25 | 1 | 6 | 7.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14785912 | 11376 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 524 | 24 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180403 | 11376 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 524 | 24 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125419 | 11376 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 524 | 24 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 14785902 | 11414 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 482 | 23 | 0 | 4 | 7.3 | CCCCCCCCCCCCOCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180485 | 11414 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 482 | 23 | 0 | 4 | 7.3 | CCCCCCCCCCCCOCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127746 | 11414 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 482 | 23 | 0 | 4 | 7.3 | CCCCCCCCCCCCOCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 14785884 | 12080 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 24 | 0 | 3 | 8.9 | CCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184240 | 12080 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 24 | 0 | 3 | 8.9 | CCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL340489 | 12080 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 24 | 0 | 3 | 8.9 | CCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 10095482 | 21960 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 454 | 7 | 0 | 5 | 4.5 | N#CC(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132246 | 21960 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 454 | 7 | 0 | 5 | 4.5 | N#CC(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10048604 | 114768 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 435 | 6 | 0 | 4 | 3.1 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccncc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL334852 | 114768 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 435 | 6 | 0 | 4 | 3.1 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccncc2)CC1 | 10.1021/jm00100a018 | ||
| 44349949 | 12090 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 567 | 25 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184258 | 12090 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 567 | 25 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL341513 | 12090 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 567 | 25 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 20066784 | 16652 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 532 | 21 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2ccccn2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124747 | 16652 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 532 | 21 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2ccccn2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 5556 | 201569 | 26 | None | -26 | 2 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00057a008 | ||
| CHEMBL646 | 201569 | 26 | None | -26 | 2 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00057a008 | ||
| 21463389 | 11868 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 593 | 26 | 1 | 5 | 9.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1183002 | 11868 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 593 | 26 | 1 | 5 | 9.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL275573 | 11868 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 593 | 26 | 1 | 5 | 9.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10439610 | 201186 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 687 | 18 | 0 | 10 | 5.5 | CCCCCN(CCCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6263 | 201186 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 687 | 18 | 0 | 10 | 5.5 | CCCCCN(CCCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14992437 | 169520 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL44434 | 169520 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| 21463481 | 11016 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 1 | 5 | 8.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178051 | 11016 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 1 | 5 | 8.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12119 | 11016 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 1 | 5 | 8.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10415640 | 11211 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 444 | 13 | 0 | 5 | 5.1 | CCCCCCOc1c(OC)cc(C(=O)Oc2ccc(CC[N+](C)(C)C)cc2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179323 | 11211 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 444 | 13 | 0 | 5 | 5.1 | CCCCCCOc1c(OC)cc(C(=O)Oc2ccc(CC[N+](C)(C)C)cc2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL70229 | 11211 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 444 | 13 | 0 | 5 | 5.1 | CCCCCCOc1c(OC)cc(C(=O)Oc2ccc(CC[N+](C)(C)C)cc2)cc1OC | 10.1021/jm00012a012 | ||
| 14992463 | 170662 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 709 | 20 | 0 | 6 | 11.0 | CCCCCCCCCCCCCCOc1c(Cl)c(Cl)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(Cl)c1Cl | 10.1021/jm00087a023 | ||
| CHEMBL44597 | 170662 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 709 | 20 | 0 | 6 | 11.0 | CCCCCCCCCCCCCCOc1c(Cl)c(Cl)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(Cl)c1Cl | 10.1021/jm00087a023 | ||
| 44268190 | 11844 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 655 | 24 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1182836 | 11844 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 655 | 24 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL268965 | 11844 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 655 | 24 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00082a007 | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00082a007 | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00082a007 | ||
| 15005341 | 5321 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 568 | 7 | 2 | 8 | 5.5 | CCOC(=O)C1=C(c2ccc(-n3c(C)nnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL107113 | 5321 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 568 | 7 | 2 | 8 | 5.5 | CCOC(=O)C1=C(c2ccc(-n3c(C)nnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10364589 | 4664 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 416 | 5 | 0 | 4 | 3.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103636 | 4664 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 416 | 5 | 0 | 4 | 3.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| 10051215 | 4621 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 1 | 6 | 3.6 | COC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccc(C(F)(F)F)cc1 | 10.1021/jm00072a019 | ||
| CHEMBL103393 | 4621 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 1 | 6 | 3.6 | COC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccc(C(F)(F)F)cc1 | 10.1021/jm00072a019 | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00105a058 | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00105a058 | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00105a058 | ||
| 10454455 | 206698 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 414 | 4 | 0 | 4 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL99966 | 206698 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 414 | 4 | 0 | 4 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| 10004065 | 4207 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100597 | 4207 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 131088 | 96779 | 5 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL268596 | 96779 | 5 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075904 | 201123 | 4 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 602 | 11 | 0 | 10 | 3.7 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)CC(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6232 | 201123 | 4 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 602 | 11 | 0 | 10 | 3.7 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)CC(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 10347147 | 98185 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 27 | 0 | 7 | 5.7 | CCCCCCCCCCCC(=O)CCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| CHEMBL277186 | 98185 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 27 | 0 | 7 | 5.7 | CCCCCCCCCCCC(=O)CCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| 10022991 | 23555 | 2 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 5 | 0 | 3 | 4.1 | CC(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133565 | 23555 | 2 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 5 | 0 | 3 | 4.1 | CC(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14785924 | 11033 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 24 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOCC1OCC(COCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1178191 | 11033 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 24 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOCC1OCC(COCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL14604 | 11033 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 24 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOCC1OCC(COCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 10255055 | 11957 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 364 | 12 | 0 | 3 | 4.9 | CCCCCCOc1c(C)cc(C(=O)OCCCC[N+](C)(C)C)cc1C | 10.1021/jm00012a012 | ||
| CHEMBL1183615 | 11957 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 364 | 12 | 0 | 3 | 4.9 | CCCCCCOc1c(C)cc(C(=O)OCCCC[N+](C)(C)C)cc1C | 10.1021/jm00012a012 | ||
| CHEMBL307760 | 11957 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 364 | 12 | 0 | 3 | 4.9 | CCCCCCOc1c(C)cc(C(=O)OCCCC[N+](C)(C)C)cc1C | 10.1021/jm00012a012 | ||
| 14992317 | 100866 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 583 | 25 | 0 | 7 | 7.5 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL296785 | 100866 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 583 | 25 | 0 | 7 | 7.5 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| 14992503 | 100978 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 589 | 21 | 0 | 7 | 8.1 | CCCCCCCCCCCCCCOc1cc(OC)cc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL297623 | 100978 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 589 | 21 | 0 | 7 | 8.1 | CCCCCCCCCCCCCCOc1cc(OC)cc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| 14992427 | 178587 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 585 | 20 | 0 | 5 | 9.1 | CCCCCCCCCCCCCCc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(CC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47219 | 178587 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 585 | 20 | 0 | 5 | 9.1 | CCCCCCCCCCCCCCc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(CC)c1 | 10.1021/jm00087a023 | ||
| 21463443 | 11010 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178039 | 11010 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11872 | 11010 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12352 | 11010 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10078097 | 201312 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 659 | 16 | 0 | 10 | 4.7 | CCCCN(CCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6319 | 201312 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 659 | 16 | 0 | 10 | 4.7 | CCCCN(CCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14950809 | 96625 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 418 | 8 | 0 | 8 | 3.1 | COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL267229 | 96625 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 418 | 8 | 0 | 8 | 3.1 | COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 21463406 | 12261 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 524 | 25 | 0 | 5 | 7.7 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1185494 | 12261 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 524 | 25 | 0 | 5 | 7.7 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL417432 | 12261 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 524 | 25 | 0 | 5 | 7.7 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 21463420 | 14491 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 610 | 26 | 1 | 6 | 8.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP(=O)([O-])OCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12055 | 14491 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 610 | 26 | 1 | 6 | 8.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP(=O)([O-])OCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992377 | 177958 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 560 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[S+](C)C)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL46682 | 177958 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 560 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[S+](C)C)c1)OC | 10.1021/jm00087a023 | ||
| 132115 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181271 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL161096 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL290840 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 15005378 | 5257 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 605 | 7 | 2 | 9 | 5.7 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL106800 | 5257 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 605 | 7 | 2 | 9 | 5.7 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1Cl | 10.1021/jm00095a005 | ||
| 15005336 | 5812 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 567 | 7 | 2 | 7 | 6.1 | CCOC(=O)C1=C(c2ccc(-n3cc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL107951 | 5812 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 567 | 7 | 2 | 7 | 6.1 | CCOC(=O)C1=C(c2ccc(-n3cc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10072623 | 4635 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103476 | 4635 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 9997078 | 24145 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 335 | 5 | 1 | 5 | 1.9 | N#CC(c1cccnc1)N1CCN(C(=O)CNc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL134094 | 24145 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 335 | 5 | 1 | 5 | 1.9 | N#CC(c1cccnc1)N1CCN(C(=O)CNc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 11726514 | 110135 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 368 | 2 | 1 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cccnc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL325700 | 110135 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 368 | 2 | 1 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cccnc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 11755085 | 4325 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 2 | 7 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2ncccc2O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL101342 | 4325 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 2 | 7 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2ncccc2O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 44290727 | 172435 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 643 | 18 | 0 | 6 | 9.9 | CCCCCCCCCCCCOc1cc(C(C)(C)C)c(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c(C(C)(C)C)c1 | 10.1021/jm00087a023 | ||
| CHEMBL45182 | 172435 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 643 | 18 | 0 | 6 | 9.9 | CCCCCCCCCCCCOc1cc(C(C)(C)C)c(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c(C(C)(C)C)c1 | 10.1021/jm00087a023 | ||
| 3075905 | 139655 | 4 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.6 | CCC(CC)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL380444 | 139655 | 4 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.6 | CCC(CC)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 457881 | 201367 | 2 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 603 | 10 | 1 | 10 | 3.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6359 | 201367 | 2 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 603 | 10 | 1 | 10 | 3.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 10453683 | 13252 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 5 | 0 | 6 | 2.2 | COc1cc(C(=O)N2CCN(C(=S)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL1192429 | 13252 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 5 | 0 | 6 | 2.2 | COc1cc(C(=O)N2CCN(C(=S)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL543662 | 13252 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 5 | 0 | 6 | 2.2 | COc1cc(C(=O)N2CCN(C(=S)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 14785926 | 11418 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 526 | 26 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOCC1OCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180490 | 11418 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 526 | 26 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOCC1OCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127875 | 11418 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 526 | 26 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOCC1OCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 14785859 | 12055 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 480 | 23 | 0 | 3 | 8.6 | CCCCCCCCCCCCCCCC1CCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184194 | 12055 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 480 | 23 | 0 | 3 | 8.6 | CCCCCCCCCCCCCCCC1CCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338476 | 12055 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 480 | 23 | 0 | 3 | 8.6 | CCCCCCCCCCCCCCCC1CCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 14554138 | 110173 | 33 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 338 | 1 | 0 | 2 | 3.9 | O=CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL325909 | 110173 | 33 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 338 | 1 | 0 | 2 | 3.9 | O=CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 14992383 | 168677 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 611 | 25 | 0 | 7 | 8.1 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2C)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL44110 | 168677 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 611 | 25 | 0 | 7 | 8.1 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2C)c1)OC | 10.1021/jm00087a023 | ||
| 14992471 | 178181 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 21 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1C(C)=O | 10.1021/jm00087a023 | ||
| CHEMBL46870 | 178181 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 21 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1C(C)=O | 10.1021/jm00087a023 | ||
| 10430573 | 162784 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 391 | 13 | 0 | 5 | 6.0 | CCCCCCOc1c(OC)cc(CCCCc2scnc2C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL419071 | 162784 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 391 | 13 | 0 | 5 | 6.0 | CCCCCCOc1c(OC)cc(CCCCc2scnc2C)cc1OC | 10.1021/jm00012a012 | ||
| 14992380 | 11933 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 761 | 28 | 1 | 5 | 11.2 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL1183410 | 11933 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 761 | 28 | 1 | 5 | 11.2 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL295434 | 11933 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 761 | 28 | 1 | 5 | 11.2 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)OC | 10.1021/jm00087a023 | ||
| 44268192 | 11855 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 721 | 25 | 1 | 6 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1182943 | 11855 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 721 | 25 | 1 | 6 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL273638 | 11855 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 721 | 25 | 1 | 6 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1 | 10.1016/0960-894X(95)00174-R | ||
| 9985049 | 11194 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179246 | 11194 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66234 | 11194 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 3075900 | 96641 | 4 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 713 | 14 | 1 | 13 | 4.0 | COc1cc(NC(=O)OCC2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL267357 | 96641 | 4 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 713 | 14 | 1 | 13 | 4.0 | COc1cc(NC(=O)OCC2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 10070445 | 10326 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 415 | 3 | 1 | 8 | 2.4 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(CO)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL116325 | 10326 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 415 | 3 | 1 | 8 | 2.4 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(CO)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10049978 | 11871 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 462 | 3 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccn4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL118302 | 11871 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 462 | 3 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccn4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 15005366 | 6385 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 5.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)O)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL108260 | 6385 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 5.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)O)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 15005376 | 110459 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 571 | 7 | 2 | 9 | 5.1 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccn1 | 10.1021/jm00095a005 | ||
| CHEMBL326201 | 110459 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 571 | 7 | 2 | 9 | 5.1 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccn1 | 10.1021/jm00095a005 | ||
| 10002913 | 4257 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 2.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100894 | 4257 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 2.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| 10003108 | 107011 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 3.0 | CCOC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL318563 | 107011 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 3.0 | CCOC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 44350001 | 11361 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180380 | 11361 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL124534 | 11361 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL127678 | 11361 | 0 | None | - | 1 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| 3075909 | 201069 | 7 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCCC(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6202 | 201069 | 7 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCCC(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 14785986 | 11374 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 591 | 24 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCOCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180401 | 11374 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 591 | 24 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCOCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125412 | 11374 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 591 | 24 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCOCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14785967 | 11406 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 503 | 18 | 0 | 4 | 7.0 | CCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180472 | 11406 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 503 | 18 | 0 | 4 | 7.0 | CCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127324 | 11406 | 0 | None | - | 1 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 503 | 18 | 0 | 4 | 7.0 | CCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 524022 | 31429 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 318 | 0 | 0 | 2 | 3.6 | CC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL140483 | 31429 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 318 | 0 | 0 | 2 | 3.6 | CC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 15005360 | 5338 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 606 | 7 | 3 | 9 | 5.7 | CCOC(=O)C1=C(c2ccc(-n3c(O)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL107198 | 5338 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 606 | 7 | 3 | 9 | 5.7 | CCOC(=O)C1=C(c2ccc(-n3c(O)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 14992513 | 172093 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 631 | 21 | 0 | 7 | 9.0 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3c(C)sc(C)c3C)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL44978 | 172093 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 631 | 21 | 0 | 7 | 9.0 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3c(C)sc(C)c3C)c2)c1OC | 10.1021/jm00087a023 | ||
| 14785910 | 11394 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 510 | 25 | 0 | 4 | 8.6 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180448 | 11394 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 510 | 25 | 0 | 4 | 8.6 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL126524 | 11394 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 510 | 25 | 0 | 4 | 8.6 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 14785898 | 11415 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 496 | 24 | 0 | 4 | 7.7 | CCCCCCCCCCCCCCOCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180486 | 11415 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 496 | 24 | 0 | 4 | 7.7 | CCCCCCCCCCCCCCOCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127766 | 11415 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 496 | 24 | 0 | 4 | 7.7 | CCCCCCCCCCCCCCOCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 14785870 | 12073 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 524 | 26 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCOCC1CC(COCCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1184227 | 12073 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 524 | 26 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCOCC1CC(COCCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL340164 | 12073 | 0 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 524 | 26 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCOCC1CC(COCCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| 44372248 | 11568 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 530 | 25 | 2 | 5 | 6.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC[N+](C)(C)C)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181143 | 11568 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 530 | 25 | 2 | 5 | 6.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC[N+](C)(C)C)OC | 10.1021/jm00121a012 | ||
| CHEMBL156926 | 11568 | 0 | None | - | 1 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 530 | 25 | 2 | 5 | 6.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC[N+](C)(C)C)OC | 10.1021/jm00121a012 | ||
| 14992525 | 178072 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 586 | 21 | 0 | 7 | 7.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccn(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL46762 | 178072 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 586 | 21 | 0 | 7 | 7.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccn(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| 21463470 | 11019 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 26 | 1 | 4 | 9.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178059 | 11019 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 26 | 1 | 4 | 9.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12337 | 11019 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 26 | 1 | 4 | 9.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 1859 | 431 | 53 | None | -1 | 2 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 1860 | 431 | 53 | None | -1 | 2 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 65889 | 431 | 53 | None | -1 | 2 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL280164 | 431 | 53 | None | -1 | 2 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 44267846 | 11008 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 518 | 25 | 0 | 4 | 7.6 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11754 | 11008 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 518 | 25 | 0 | 4 | 7.6 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178036 | 11008 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 518 | 25 | 0 | 4 | 7.6 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44290615 | 100818 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 622 | 21 | 0 | 7 | 8.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[N+]3=CN=C4C=CC=CC43)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL296432 | 100818 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 622 | 21 | 0 | 7 | 8.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[N+]3=CN=C4C=CC=CC43)c2)c1OC | 10.1021/jm00087a023 | ||
| 14992371 | 165773 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 541 | 14 | 0 | 8 | 4.6 | COC(COc1ccc(OCc2ccccc2)cc1)COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL42725 | 165773 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 541 | 14 | 0 | 8 | 4.6 | COC(COc1ccc(OCc2ccccc2)cc1)COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1 | 10.1021/jm00087a023 | ||
| 10428978 | 10379 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 366 | 2 | 1 | 5 | 4.8 | Cc1nc2cnccc2n1-c1ccc(C2=CCC(=O)c3ccccc3N2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL116515 | 10379 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 366 | 2 | 1 | 5 | 4.8 | Cc1nc2cnccc2n1-c1ccc(C2=CCC(=O)c3ccccc3N2)cc1 | 10.1021/jm00018a011 | ||
| 10476688 | 115286 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 410 | 6 | 1 | 4 | 4.6 | N#CC1(Nc2cccnc2)CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL335432 | 115286 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 410 | 6 | 1 | 4 | 4.6 | N#CC1(Nc2cccnc2)CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 15123192 | 11612 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 569 | 19 | 0 | 6 | 5.8 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCCCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181266 | 11612 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 569 | 19 | 0 | 6 | 5.8 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCCCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL160995 | 11612 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 569 | 19 | 0 | 6 | 5.8 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCCCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| 15123194 | 11617 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 589 | 16 | 0 | 6 | 6.3 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181278 | 11617 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 589 | 16 | 0 | 6 | 6.3 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL161597 | 11617 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 589 | 16 | 0 | 6 | 6.3 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 | 10.1021/jm00082a007 | ||
| 15005334 | 109306 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 581 | 7 | 2 | 7 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc(C)c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL323290 | 109306 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 581 | 7 | 2 | 7 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc(C)c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 44350422 | 11399 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 620 | 24 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180461 | 11399 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 620 | 24 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL126958 | 11399 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 620 | 24 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14785996 | 11405 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180471 | 11405 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127266 | 11405 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338441 | 11405 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL319839 | 107901 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 501 | 9 | 1 | 8 | 5.0 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 10390185 | 106998 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 475 | 7 | 1 | 5 | 3.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL318460 | 106998 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 475 | 7 | 1 | 5 | 3.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm00072a019 | ||
| 6917920 | 100979 | 2 | None | -69 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00105a069 | ||
| CHEMBL297624 | 100979 | 2 | None | -69 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00105a069 | ||
| 44372250 | 11583 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 25 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181188 | 11583 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 25 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL158489 | 11583 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 25 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14785868 | 11413 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 27 | 0 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)CCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180483 | 11413 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 27 | 0 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)CCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL127704 | 11413 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 27 | 0 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)CCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| 10461336 | 77092 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 607 | 32 | 0 | 6 | 8.7 | CCCCCCC(CCCCCC)CCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| CHEMBL20869 | 77092 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 607 | 32 | 0 | 6 | 8.7 | CCCCCCC(CCCCCC)CCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| 10031400 | 11541 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 467 | 19 | 1 | 2 | 6.5 | CCCCCCCCCCCCCCOc1ccc(CC(=O)NCCc2cccc[n+]2C)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL1181049 | 11541 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 467 | 19 | 1 | 2 | 6.5 | CCCCCCCCCCCCCCOc1ccc(CC(=O)NCCc2cccc[n+]2C)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL153901 | 11541 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 467 | 19 | 1 | 2 | 6.5 | CCCCCCCCCCCCCCOc1ccc(CC(=O)NCCc2cccc[n+]2C)cc1 | 10.1021/jm00057a008 | ||
| 14992475 | 168385 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1ccc(C(C)=O)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL43887 | 168385 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1ccc(C(C)=O)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1 | 10.1021/jm00087a023 | ||
| 9978623 | 4647 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 405 | 6 | 1 | 5 | 2.0 | CNC(=O)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL103546 | 4647 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 405 | 6 | 1 | 5 | 2.0 | CNC(=O)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 10367510 | 4403 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 0 | 5 | 4.4 | CCOC(=O)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL101794 | 4403 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 471 | 8 | 0 | 5 | 4.4 | CCOC(=O)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14992365 | 100849 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 633 | 23 | 0 | 8 | 7.7 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL29665 | 100849 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 633 | 23 | 0 | 8 | 7.7 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| 14992398 | 10121 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 602 | 25 | 2 | 6 | 8.0 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(CN(C)/C(S)=N\C)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL1160088 | 10121 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 602 | 25 | 2 | 6 | 8.0 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(CN(C)/C(S)=N\C)c1)OC | 10.1021/jm00087a023 | ||
| 21463443 | 11010 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178039 | 11010 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11872 | 11010 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12352 | 11010 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44374445 | 11577 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181172 | 11577 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL157989 | 11577 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 10005520 | 162933 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 7 | 1 | 6 | 4.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)Oc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL420092 | 162933 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 7 | 1 | 6 | 4.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)Oc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10394508 | 11550 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 525 | 19 | 0 | 4 | 7.3 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CC)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| CHEMBL1181068 | 11550 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 525 | 19 | 0 | 4 | 7.3 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CC)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| CHEMBL154536 | 11550 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 525 | 19 | 0 | 4 | 7.3 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2CC)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| 14786013 | 12062 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cc[n+](CC)cc2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184202 | 12062 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cc[n+](CC)cc2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL338828 | 12062 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cc[n+](CC)cc2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 10099557 | 11206 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 444 | 13 | 0 | 5 | 5.2 | CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179276 | 11206 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 444 | 13 | 0 | 5 | 5.2 | CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67396 | 11206 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 444 | 13 | 0 | 5 | 5.2 | CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14992411 | 168617 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 22 | 0 | 6 | 8.9 | CCCCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc1 | 10.1021/jm00087a023 | ||
| CHEMBL44060 | 168617 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 587 | 22 | 0 | 6 | 8.9 | CCCCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc1 | 10.1021/jm00087a023 | ||
| 14992349 | 63165 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 619 | 23 | 0 | 8 | 7.3 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL17997 | 63165 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 619 | 23 | 0 | 8 | 7.3 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| 14992417 | 178406 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 543 | 19 | 0 | 5 | 8.3 | CCCCCCCCCCCCCCc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47073 | 178406 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 543 | 19 | 0 | 5 | 8.3 | CCCCCCCCCCCCCCc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| 10340883 | 12720 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 399 | 2 | 0 | 7 | 3.3 | Cc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| CHEMBL118840 | 12720 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 399 | 2 | 0 | 7 | 3.3 | Cc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| 9889462 | 4218 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 440 | 6 | 1 | 5 | 3.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100641 | 4218 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 440 | 6 | 1 | 5 | 3.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL440149 | 168552 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 562 | 10 | 2 | 7 | 6.4 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)Nc2ccccc2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 14960365 | 107019 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 467 | 6 | 0 | 6 | 2.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCS2(=O)=O)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL318590 | 107019 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 467 | 6 | 0 | 6 | 2.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCS2(=O)=O)CC1 | 10.1021/jm00072a019 | ||
| 14992327 | 172105 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 668 | 27 | 1 | 8 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL44997 | 172105 | 0 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 668 | 27 | 1 | 8 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| 3075908 | 113628 | 4 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 631 | 11 | 1 | 10 | 3.9 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL332848 | 113628 | 4 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 631 | 11 | 1 | 10 | 3.9 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075899 | 201073 | 4 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6203 | 201073 | 4 | None | - | 1 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 14785887 | 11360 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 508 | 25 | 0 | 3 | 9.3 | CCCCCCCCCCCCCCCCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180379 | 11360 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 508 | 25 | 0 | 3 | 9.3 | CCCCCCCCCCCCCCCCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124523 | 11360 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 508 | 25 | 0 | 3 | 9.3 | CCCCCCCCCCCCCCCCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 14785900 | 11364 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 510 | 25 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCOCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180384 | 11364 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 510 | 25 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCOCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124581 | 11364 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 510 | 25 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCOCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 1116500 | 13758 | 8 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 371 | 6 | 0 | 6 | 2.1 | COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL1196032 | 13758 | 8 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 371 | 6 | 0 | 6 | 2.1 | COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL3215547 | 13758 | 8 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 371 | 6 | 0 | 6 | 2.1 | COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 10077214 | 12308 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1cccc(CN(Cc2cccc[n+]2C)C(C)=O)c1 | 10.1021/jm00057a008 | ||
| CHEMBL1185820 | 12308 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1cccc(CN(Cc2cccc[n+]2C)C(C)=O)c1 | 10.1021/jm00057a008 | ||
| CHEMBL434460 | 12308 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1cccc(CN(Cc2cccc[n+]2C)C(C)=O)c1 | 10.1021/jm00057a008 | ||
| 14992433 | 100957 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 561 | 19 | 0 | 7 | 7.3 | CCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL297458 | 100957 | 0 | None | - | 1 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 561 | 19 | 0 | 7 | 7.3 | CCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1OC | 10.1021/jm00087a023 | ||
| 120984 | 201150 | 23 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 474 | 8 | 0 | 8 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6244 | 201150 | 23 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 474 | 8 | 0 | 8 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 14992303 | 100622 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 689 | 27 | 0 | 8 | 9.2 | CCCCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1C | 10.1021/jm00087a023 | ||
| CHEMBL294983 | 100622 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 689 | 27 | 0 | 8 | 9.2 | CCCCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1C | 10.1021/jm00087a023 | ||
| 14992419 | 166265 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 22 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1C | 10.1021/jm00087a023 | ||
| CHEMBL42848 | 166265 | 0 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 22 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1C | 10.1021/jm00087a023 | ||
| 14960366 | 4604 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103231 | 4604 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 9979382 | 4609 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 417 | 6 | 0 | 5 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103287 | 4609 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 417 | 6 | 0 | 5 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2)CC1 | 10.1021/jm00072a019 | ||
| 10048004 | 4219 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 424 | 6 | 0 | 4 | 4.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100642 | 4219 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 424 | 6 | 0 | 4 | 4.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10069753 | 4710 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 3.0 | C=CCNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL103995 | 4710 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 3.0 | C=CCNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 14785973 | 11387 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180435 | 11387 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL126302 | 11387 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL126981 | 11387 | 0 | None | - | 1 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 14554145 | 30674 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 386 | 0 | 0 | 2 | 4.9 | CC(=O)N1CCC(=C2c3cc(Cl)c(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL139760 | 30674 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 386 | 0 | 0 | 2 | 4.9 | CC(=O)N1CCC(=C2c3cc(Cl)c(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 1392 | 99304 | 30 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 523 | 27 | 0 | 6 | 6.5 | CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| CHEMBL28509 | 99304 | 30 | None | - | 1 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 523 | 27 | 0 | 6 | 6.5 | CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| 14992401 | 183332 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 587 | 22 | 0 | 6 | 8.9 | CCCCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL48129 | 183332 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 587 | 22 | 0 | 6 | 8.9 | CCCCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL105029 | 4936 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 501 | 9 | 1 | 8 | 5.0 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 44290665 | 181737 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 633 | 21 | 1 | 6 | 10.5 | CCCCCCCCCCCCCCOc1cccc(OP(=O)(O)Oc2cccc(Cc3nccc4ccccc34)c2)c1OC | 10.1021/jm00087a023 | ||
| 44290666 | 181737 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 633 | 21 | 1 | 6 | 10.5 | CCCCCCCCCCCCCCOc1cccc(OP(=O)(O)Oc2cccc(Cc3nccc4ccccc34)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL47843 | 181737 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 633 | 21 | 1 | 6 | 10.5 | CCCCCCCCCCCCCCOc1cccc(OP(=O)(O)Oc2cccc(Cc3nccc4ccccc34)c2)c1OC | 10.1021/jm00087a023 | ||
| 14992443 | 99928 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1OC | 10.1021/jm00087a023 | ||
| CHEMBL290038 | 99928 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1OC | 10.1021/jm00087a023 | ||
| 10485263 | 11013 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 631 | 22 | 1 | 6 | 6.5 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178045 | 11013 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 631 | 22 | 1 | 6 | 6.5 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11989 | 11013 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 631 | 22 | 1 | 6 | 6.5 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1 | 10.1016/0960-894X(95)00173-Q | ||
| 14785996 | 11405 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180471 | 11405 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127266 | 11405 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338441 | 11405 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 9999041 | 97643 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 367 | 3 | 0 | 5 | 3.9 | Cc1nc2cnccc2n1-c1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL273392 | 97643 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 367 | 3 | 0 | 5 | 3.9 | Cc1nc2cnccc2n1-c1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| 15123180 | 11588 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 10 | 0 | 5 | 3.5 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181205 | 11588 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 10 | 0 | 5 | 3.5 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL158908 | 11588 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 10 | 0 | 5 | 3.5 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| 15005359 | 11979 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 646 | 10 | 2 | 8 | 7.4 | CCCCc1nc2cnccc2n1-c1ccc(C2=C(C(=O)OCC)C(c3ccccc3Cl)C(C(=O)Nc3ccccn3)=C(C)N2)cc1 | 10.1021/jm00095a005 | ||
| CHEMBL1183832 | 11979 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 646 | 10 | 2 | 8 | 7.4 | CCCCc1nc2cnccc2n1-c1ccc(C2=C(C(=O)OCC)C(c3ccccc3Cl)C(C(=O)Nc3ccccn3)=C(C)N2)cc1 | 10.1021/jm00095a005 | ||
| CHEMBL320226 | 11979 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 646 | 10 | 2 | 8 | 7.4 | CCCCc1nc2cnccc2n1-c1ccc(C2=C(C(=O)OCC)C(c3ccccc3Cl)C(C(=O)Nc3ccccn3)=C(C)N2)cc1 | 10.1021/jm00095a005 | ||
| 10318577 | 13499 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 6 | 0 | 7 | 2.1 | COc1cc(C(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL1194238 | 13499 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 6 | 0 | 7 | 2.1 | COc1cc(C(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL3215728 | 13499 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 6 | 0 | 7 | 2.1 | COc1cc(C(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 10408640 | 13566 | 2 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 5 | 0 | 3 | 3.6 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1194725 | 13566 | 2 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 5 | 0 | 3 | 3.6 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL553152 | 13566 | 2 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 5 | 0 | 3 | 3.6 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 | 10.1021/jm00100a018 | ||
| 10070451 | 22976 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 415 | 5 | 0 | 3 | 2.8 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133120 | 22976 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 415 | 5 | 0 | 3 | 2.8 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 | 10.1021/jm00100a018 | ||
| 14786021 | 11366 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 23 | 1 | 4 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)Nc2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180386 | 11366 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 23 | 1 | 4 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)Nc2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124799 | 11366 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 23 | 1 | 4 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)Nc2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| 14786027 | 12087 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 510 | 22 | 0 | 2 | 9.2 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2cccc3ccccc32)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184255 | 12087 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 510 | 22 | 0 | 2 | 9.2 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2cccc3ccccc32)C1 | 10.1021/jm00105a058 | ||
| CHEMBL341265 | 12087 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 510 | 22 | 0 | 2 | 9.2 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2cccc3ccccc32)C1 | 10.1021/jm00105a058 | ||
| 14992423 | 100646 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 615 | 20 | 0 | 6 | 9.3 | CCCCCCCCCCCCCCOc1c(C)cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C)c1C | 10.1021/jm00087a023 | ||
| CHEMBL295148 | 100646 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 615 | 20 | 0 | 6 | 9.3 | CCCCCCCCCCCCCCOc1c(C)cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C)c1C | 10.1021/jm00087a023 | ||
| 14992509 | 96202 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 617 | 21 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3c(C)csc3C)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL263675 | 96202 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 617 | 21 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3c(C)csc3C)c2)c1OC | 10.1021/jm00087a023 | ||
| 14992519 | 181069 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 633 | 21 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3cccc4ccccc43)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL47760 | 181069 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 633 | 21 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3cccc4ccccc43)c2)c1OC | 10.1021/jm00087a023 | ||
| 129796 | 99990 | 31 | None | -1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL29067 | 99990 | 31 | None | -1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 15123184 | 11590 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 577 | 23 | 0 | 6 | 7.0 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCCCCCCCCCCCOC)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181208 | 11590 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 577 | 23 | 0 | 6 | 7.0 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCCCCCCCCCCCOC)C1 | 10.1021/jm00082a007 | ||
| CHEMBL158974 | 11590 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 577 | 23 | 0 | 6 | 7.0 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCCCCCCCCCCCOC)C1 | 10.1021/jm00082a007 | ||
| 15005344 | 96115 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 603 | 7 | 2 | 7 | 6.9 | CCOC(=O)C1=C(c2ccc(-c3c(C)nc4ccccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL263022 | 96115 | 0 | None | - | 1 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 603 | 7 | 2 | 7 | 6.9 | CCOC(=O)C1=C(c2ccc(-c3c(C)nc4ccccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 44344945 | 12690 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 419 | 2 | 0 | 7 | 4.6 | Cc1cc2c(cc1C)-n1cnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL118813 | 12690 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 419 | 2 | 0 | 7 | 4.6 | Cc1cc2c(cc1C)-n1cnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 15005372 | 109368 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 654 | 8 | 2 | 9 | 6.6 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1OC(F)(F)F | 10.1021/jm00095a005 | ||
| CHEMBL323382 | 109368 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 654 | 8 | 2 | 9 | 6.6 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1OC(F)(F)F | 10.1021/jm00095a005 | ||
| CHEMBL104967 | 4920 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 9 | 2 | 7 | 6.2 | CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)NC(C)(C)C)[C@H]1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 9955997 | 10436 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 462 | 3 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4cccnc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL116938 | 10436 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 462 | 3 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4cccnc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 44344946 | 13503 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 433 | 2 | 0 | 7 | 4.9 | Cc1cc2c(cc1C)-n1c(C)nnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL119425 | 13503 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 433 | 2 | 0 | 7 | 4.9 | Cc1cc2c(cc1C)-n1c(C)nnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 10435878 | 13971 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 3 | 0 | 8 | 3.1 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(C(=O)N4CCOCC4)cnc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL119763 | 13971 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 3 | 0 | 8 | 3.1 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(C(=O)N4CCOCC4)cnc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL106819 | 5261 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 618 | 8 | 1 | 8 | 7.9 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)N=C(C)/C(=C(/O)OCc2ccccc2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10455159 | 116518 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 3.1 | N#CC(c1ccncc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL338940 | 116518 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 3.1 | N#CC(c1ccncc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10456275 | 14473 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 447 | 3 | 1 | 7 | 4.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(c(-c4ccccc4)nn3C)NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL120515 | 14473 | 0 | None | - | 1 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 447 | 3 | 1 | 7 | 4.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(c(-c4ccccc4)nn3C)NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10341520 | 4312 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1cccnc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL101245 | 4312 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1cccnc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10071653 | 4161 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 435 | 6 | 0 | 6 | 2.9 | COC(=O)N(C)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL100340 | 4161 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 435 | 6 | 0 | 6 | 2.9 | COC(=O)N(C)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 9982678 | 4237 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 481 | 7 | 0 | 5 | 3.7 | CC(=O)N(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL100809 | 4237 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 481 | 7 | 0 | 5 | 3.7 | CC(=O)N(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 10341520 | 4312 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1cccnc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL101245 | 4312 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1cccnc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10344531 | 107348 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 467 | 8 | 0 | 5 | 4.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N(C)Cc2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL319229 | 107348 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 467 | 8 | 0 | 5 | 4.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N(C)Cc2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00057a008 | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00057a008 | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00057a008 | ||
| 44344703 | 110332 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 373 | 2 | 2 | 5 | 3.1 | Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)NC3CCCCC3N2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL326077 | 110332 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 373 | 2 | 2 | 5 | 3.1 | Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)NC3CCCCC3N2)cc1 | 10.1021/jm00018a011 | ||
| 10093925 | 114998 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 425 | 7 | 2 | 5 | 3.8 | N#CC1(Nc2cccnc2)CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL335176 | 114998 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 425 | 7 | 2 | 5 | 3.8 | N#CC1(Nc2cccnc2)CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 15005342 | 5016 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 554 | 7 | 2 | 7 | 6.3 | CCOC(=O)C1=C(c2ccc(-c3ocnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL105500 | 5016 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 554 | 7 | 2 | 7 | 6.3 | CCOC(=O)C1=C(c2ccc(-c3ocnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 14992429 | 100793 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 649 | 21 | 0 | 6 | 10.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(-c2ccccc2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL296238 | 100793 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 649 | 21 | 0 | 6 | 10.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(-c2ccccc2)c1 | 10.1021/jm00087a023 | ||
| 44371929 | 11573 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 592 | 24 | 1 | 6 | 7.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181154 | 11573 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 592 | 24 | 1 | 6 | 7.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL157246 | 11573 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 592 | 24 | 1 | 6 | 7.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14786009 | 11420 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 6.9 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2C)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180492 | 11420 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 6.9 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2C)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127890 | 11420 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 6.9 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2C)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 9985047 | 11196 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179248 | 11196 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66344 | 11196 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14992459 | 168530 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 607 | 20 | 0 | 6 | 9.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(Cl)c1 | 10.1021/jm00087a023 | ||
| CHEMBL43993 | 168530 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 607 | 20 | 0 | 6 | 9.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(Cl)c1 | 10.1021/jm00087a023 | ||
| 10416972 | 11567 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL1181140 | 11567 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL156891 | 11567 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| 14785918 | 11411 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 468 | 20 | 0 | 5 | 6.6 | CCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180480 | 11411 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 468 | 20 | 0 | 5 | 6.6 | CCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127464 | 11411 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 468 | 20 | 0 | 5 | 6.6 | CCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 10393263 | 77142 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 571 | 27 | 0 | 6 | 6.9 | COC(COCCCCCCCCCCCCCCCCc1ccccc1)COP(=O)([O-])OCC[N+](C)(C)C | 10.1021/jm00007a018 | ||
| CHEMBL20873 | 77142 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 571 | 27 | 0 | 6 | 6.9 | COC(COCCCCCCCCCCCCCCCCc1ccccc1)COP(=O)([O-])OCC[N+](C)(C)C | 10.1021/jm00007a018 | ||
| 14992481 | 178057 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 677 | 22 | 0 | 7 | 9.6 | CCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL46752 | 178057 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 677 | 22 | 0 | 7 | 9.6 | CCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1 | 10.1021/jm00087a023 | ||
| 10410208 | 4676 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL103753 | 4676 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10382241 | 13277 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 0 | 4 | 2.6 | CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL1192625 | 13277 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 0 | 4 | 2.6 | CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL3216182 | 13277 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 334 | 4 | 0 | 4 | 2.6 | CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| 10001979 | 116091 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 416 | 6 | 0 | 5 | 4.1 | N#CC(c1cncs1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL336612 | 116091 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 416 | 6 | 0 | 5 | 4.1 | N#CC(c1cncs1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10408388 | 117573 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.8 | N#CC(c1cccnc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL340544 | 117573 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.8 | N#CC(c1cccnc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 11741454 | 109877 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 2 | 1 | 6 | 4.2 | Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2 | 10.1021/jm00018a012 | ||
| CHEMBL324154 | 109877 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 2 | 1 | 6 | 4.2 | Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2 | 10.1021/jm00018a012 | ||
| 132115 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181271 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL161096 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL290840 | 11614 | 1 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 10410208 | 4676 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103753 | 4676 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14960367 | 96364 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 441 | 7 | 1 | 6 | 1.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NS(C)(=O)=O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL265057 | 96364 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 441 | 7 | 1 | 6 | 1.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NS(C)(=O)=O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 44268105 | 11018 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 606 | 22 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178055 | 11018 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 606 | 22 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12183 | 11018 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 606 | 22 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 13457165 | 192974 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 501 | 9 | 1 | 8 | 5.0 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL53019 | 192974 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 501 | 9 | 1 | 8 | 5.0 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 14785954 | 14052 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1198574 | 14052 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL124071 | 14052 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 14992421 | 100677 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 615 | 20 | 0 | 6 | 9.3 | CCCCCCCCCCCCCCOc1cc(C)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C)c1C | 10.1021/jm00087a023 | ||
| CHEMBL295379 | 100677 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 615 | 20 | 0 | 6 | 9.3 | CCCCCCCCCCCCCCOc1cc(C)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C)c1C | 10.1021/jm00087a023 | ||
| 14785982 | 12061 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184201 | 12061 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338689 | 12061 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14785954 | 14052 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1198574 | 14052 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL124071 | 14052 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.1 | CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| 10053949 | 11193 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 452 | 18 | 0 | 5 | 5.9 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179244 | 11193 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 452 | 18 | 0 | 5 | 5.9 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66185 | 11193 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 452 | 18 | 0 | 5 | 5.9 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14785874 | 11362 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 466 | 22 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180381 | 11362 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 466 | 22 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124535 | 11362 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 466 | 22 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 14785866 | 11400 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 538 | 27 | 0 | 4 | 8.9 | CCCCCCCCCCCCCCCCCCOCC1CC(COCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180462 | 11400 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 538 | 27 | 0 | 4 | 8.9 | CCCCCCCCCCCCCCCCCCOCC1CC(COCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL127009 | 11400 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 538 | 27 | 0 | 4 | 8.9 | CCCCCCCCCCCCCCCCCCOCC1CC(COCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| 44273696 | 77650 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 523 | 26 | 0 | 7 | 5.3 | CCCCCC(=O)CCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| CHEMBL20974 | 77650 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 523 | 26 | 0 | 7 | 5.3 | CCCCCC(=O)CCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| 10026451 | 22405 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 443 | 6 | 0 | 3 | 5.3 | N#CC(c1cccc(Cl)c1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132655 | 22405 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 443 | 6 | 0 | 3 | 5.3 | N#CC(c1cccc(Cl)c1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992501 | 101001 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 601 | 18 | 0 | 6 | 8.9 | CCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1C(C)(C)C | 10.1021/jm00087a023 | ||
| CHEMBL297765 | 101001 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 601 | 18 | 0 | 6 | 8.9 | CCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1C(C)(C)C | 10.1021/jm00087a023 | ||
| 44290506 | 100760 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 659 | 26 | 0 | 7 | 9.1 | CCCCCCCCCCCCCCCCc1ccccc1OCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL296047 | 100760 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 659 | 26 | 0 | 7 | 9.1 | CCCCCCCCCCCCCCCCc1ccccc1OCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| 14992431 | 178483 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 21 | 0 | 6 | 10.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1-c1ccccc1 | 10.1021/jm00087a023 | ||
| CHEMBL47149 | 178483 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 21 | 0 | 6 | 10.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1-c1ccccc1 | 10.1021/jm00087a023 | ||
| 10101014 | 11006 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.0 | CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11713 | 11006 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.0 | CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178031 | 11006 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.0 | CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 15005356 | 5357 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4ccncc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL107321 | 5357 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4ccncc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10097385 | 167303 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 497 | 8 | 1 | 6 | 4.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)OCc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL431049 | 167303 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 497 | 8 | 1 | 6 | 4.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)OCc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 9939586 | 11546 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL1181061 | 11546 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| CHEMBL154282 | 11546 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 537 | 17 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1C(C)(C)C | 10.1021/jm00057a008 | ||
| 44350001 | 11361 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180380 | 11361 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL124534 | 11361 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL127678 | 11361 | 0 | None | - | 1 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL105908 | 5091 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 542 | 9 | 2 | 7 | 5.7 | CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)NC(C)(C)C)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 10094738 | 13230 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1192218 | 13230 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL543420 | 13230 | 0 | None | - | 1 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10318313 | 13665 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 391 | 8 | 0 | 5 | 2.4 | CN(CCCc1ccccc1)CC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1195411 | 13665 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 391 | 8 | 0 | 5 | 2.4 | CN(CCCc1ccccc1)CC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3216385 | 13665 | 0 | None | - | 1 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 391 | 8 | 0 | 5 | 2.4 | CN(CCCc1ccccc1)CC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 14992491 | 178401 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 381 | 6 | 0 | 5 | 3.7 | O=P([O-])(Oc1cccc(Cl)c1)Oc1cccc(C[n+]2ccsc2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47069 | 178401 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 381 | 6 | 0 | 5 | 3.7 | O=P([O-])(Oc1cccc(Cl)c1)Oc1cccc(C[n+]2ccsc2)c1 | 10.1021/jm00087a023 | ||
| 2118 | 201792 | 35 | None | -42 | 2 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | 10.1021/jm00057a008 | ||
| CHEMBL661 | 201792 | 35 | None | -42 | 2 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | 10.1021/jm00057a008 | ||
| 10004583 | 11203 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 336 | 12 | 0 | 3 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 | 10.1021/jm00012a012 | ||
| CHEMBL1179268 | 11203 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 336 | 12 | 0 | 3 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 | 10.1021/jm00012a012 | ||
| CHEMBL67031 | 11203 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 336 | 12 | 0 | 3 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 | 10.1021/jm00012a012 | ||
| 44267844 | 11005 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 605 | 27 | 1 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11696 | 11005 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 605 | 27 | 1 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178030 | 11005 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 605 | 27 | 1 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10454370 | 115728 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 5 | 0 | 4 | 4.4 | N#CC(c1cccnc1)N1CCN(C(=S)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL335853 | 115728 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 5 | 0 | 4 | 4.4 | N#CC(c1cccnc1)N1CCN(C(=S)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 15005335 | 5333 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 553 | 7 | 2 | 7 | 5.8 | CCOC(=O)C1=C(c2ccc(-n3ccnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL107159 | 5333 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 553 | 7 | 2 | 7 | 5.8 | CCOC(=O)C1=C(c2ccc(-n3ccnc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10476687 | 114930 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 3.8 | N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL335044 | 114930 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 3.8 | N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992363 | 170796 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 661 | 24 | 0 | 8 | 8.3 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OCC)c1C | 10.1021/jm00087a023 | ||
| CHEMBL44617 | 170796 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 661 | 24 | 0 | 8 | 8.3 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OCC)c1C | 10.1021/jm00087a023 | ||
| 10409305 | 22622 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 3.7 | N#CC(CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccnc1 | 10.1021/jm00100a018 | ||
| CHEMBL132824 | 22622 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 3.7 | N#CC(CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccnc1 | 10.1021/jm00100a018 | ||
| 44372260 | 11604 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 588 | 25 | 1 | 7 | 6.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)OC)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181249 | 11604 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 588 | 25 | 1 | 7 | 6.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)OC)OC | 10.1021/jm00121a012 | ||
| CHEMBL160653 | 11604 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 588 | 25 | 1 | 7 | 6.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)OC)OC | 10.1021/jm00121a012 | ||
| 14786025 | 11359 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2ccc[n+](CC)c2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180378 | 11359 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2ccc[n+](CC)c2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124521 | 11359 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2ccc[n+](CC)c2)C1 | 10.1021/jm00105a058 | ||
| 1147874 | 13034 | 14 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 3.2 | O=C(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1190655 | 13034 | 14 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 3.2 | O=C(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL541329 | 13034 | 14 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 3.2 | O=C(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992389 | 100835 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 627 | 25 | 0 | 6 | 8.6 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccc3ccccc3c2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL296539 | 100835 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 627 | 25 | 0 | 6 | 8.6 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccc3ccccc3c2)c1)OC | 10.1021/jm00087a023 | ||
| 10002537 | 22653 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 7 | 0 | 5 | 3.5 | N#CC(c1cccnc1)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132852 | 22653 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 7 | 0 | 5 | 3.5 | N#CC(c1cccnc1)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10025386 | 24183 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 424 | 7 | 1 | 4 | 4.3 | N#CC(c1cccnc1)C1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL134123 | 24183 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 424 | 7 | 1 | 4 | 4.3 | N#CC(c1cccnc1)C1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 44350316 | 11349 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180357 | 11349 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL123570 | 11349 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 10043426 | 13334 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 6 | 1 | 5 | 1.6 | N#CC(c1cccnc1)N1CCN(C(=O)CNCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1193029 | 13334 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 6 | 1 | 5 | 1.6 | N#CC(c1cccnc1)N1CCN(C(=O)CNCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3217094 | 13334 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 6 | 1 | 5 | 1.6 | N#CC(c1cccnc1)N1CCN(C(=O)CNCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 9999670 | 13437 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 377 | 6 | 0 | 5 | 2.5 | CC(c1ccccc1)N(C)CC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1193836 | 13437 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 377 | 6 | 0 | 5 | 2.5 | CC(c1ccccc1)N(C)CC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL545306 | 13437 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 377 | 6 | 0 | 5 | 2.5 | CC(c1ccccc1)N(C)CC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 9981367 | 19419 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL130034 | 19419 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10092996 | 23956 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 5 | 0 | 4 | 3.8 | CC(C#N)(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133921 | 23956 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 5 | 0 | 4 | 3.8 | CC(C#N)(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 3013157 | 96887 | 2 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 603 | 13 | 1 | 10 | 3.2 | CCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL269340 | 96887 | 2 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 603 | 13 | 1 | 10 | 3.2 | CCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14554129 | 10435 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 366 | 1 | 0 | 2 | 4.7 | CCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL116935 | 10435 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 366 | 1 | 0 | 2 | 4.7 | CCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 14785936 | 11357 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 484 | 25 | 0 | 3 | 8.3 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+](C)(C)C)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180375 | 11357 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 484 | 25 | 0 | 3 | 8.3 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+](C)(C)C)O1 | 10.1021/jm00105a058 | ||
| CHEMBL124312 | 11357 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 484 | 25 | 0 | 3 | 8.3 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+](C)(C)C)O1 | 10.1021/jm00105a058 | ||
| 15123188 | 11615 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 533 | 20 | 0 | 6 | 5.6 | C=CCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181272 | 11615 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 533 | 20 | 0 | 6 | 5.6 | C=CCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL161127 | 11615 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 533 | 20 | 0 | 6 | 5.6 | C=CCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 15005373 | 108732 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 595 | 7 | 2 | 9 | 5.6 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccc(C#N)cc1 | 10.1021/jm00095a005 | ||
| CHEMBL321722 | 108732 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 595 | 7 | 2 | 9 | 5.6 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccc(C#N)cc1 | 10.1021/jm00095a005 | ||
| 168283401 | 190296 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 286 | 0 | 0 | 2 | 4.4 | C=C1C2=CC[C@@H](C)[C@@]1(C)CC/C(C)=C/CC[C@H]1O[C@@H]1C2=O | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL5184957 | 190296 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 286 | 0 | 0 | 2 | 4.4 | C=C1C2=CC[C@@H](C)[C@@]1(C)CC/C(C)=C/CC[C@H]1O[C@@H]1C2=O | 10.1016/j.ejmech.2020.112957 | ||
| 9996872 | 164885 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 332 | 4 | 0 | 4 | 2.5 | N#CC(c1cccnc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL423891 | 164885 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 332 | 4 | 0 | 4 | 2.5 | N#CC(c1cccnc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14786011 | 11407 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2ccc[n+](CC)c2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180475 | 11407 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2ccc[n+](CC)c2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127374 | 11407 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2ccc[n+](CC)c2)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 10247684 | 13436 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.3 | N#CC(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1193834 | 13436 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.3 | N#CC(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3215754 | 13436 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.3 | N#CC(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 | 10.1021/jm00100a018 | ||
| 10386994 | 22619 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.0 | Cn1cccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132821 | 22619 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.0 | Cn1cccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 462383 | 201317 | 4 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 603 | 12 | 0 | 10 | 3.2 | CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6322 | 201317 | 4 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 603 | 12 | 0 | 10 | 3.2 | CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 107681 | 1196 | 24 | None | -45 | 2 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00057a008 | ||
| 6079 | 1196 | 24 | None | -45 | 2 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00057a008 | ||
| CHEMBL295212 | 1196 | 24 | None | -45 | 2 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00057a008 | ||
| 10025488 | 13756 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 426 | 6 | 0 | 5 | 4.2 | N#CC(c1cccnc1)N1CCN(C(=O)OCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1196008 | 13756 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 426 | 6 | 0 | 5 | 4.2 | N#CC(c1cccnc1)N1CCN(C(=O)OCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3217088 | 13756 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 426 | 6 | 0 | 5 | 4.2 | N#CC(c1cccnc1)N1CCN(C(=O)OCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14966970 | 24212 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 407 | 5 | 0 | 3 | 5.2 | N#CC(=C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1cccnc1 | 10.1021/jm00100a018 | ||
| CHEMBL134143 | 24212 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 407 | 5 | 0 | 3 | 5.2 | N#CC(=C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1cccnc1 | 10.1021/jm00100a018 | ||
| 135492593 | 110177 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 385 | 2 | 1 | 7 | 3.2 | Cc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2 | 10.1021/jm00018a012 | ||
| CHEMBL325928 | 110177 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 385 | 2 | 1 | 7 | 3.2 | Cc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2 | 10.1021/jm00018a012 | ||
| 10074233 | 107859 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 488 | 7 | 0 | 6 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CS(=O)(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL319806 | 107859 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 488 | 7 | 0 | 6 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CS(=O)(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10322496 | 4653 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 6 | 0 | 4 | 5.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)C(C)(C)C(F)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103560 | 4653 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 6 | 0 | 4 | 5.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)C(C)(C)C(F)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10410007 | 4700 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 422 | 5 | 0 | 4 | 4.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103903 | 4700 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 422 | 5 | 0 | 4 | 4.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 44350398 | 11373 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 592 | 22 | 1 | 8 | 5.8 | CCCCCCCCCCCCCCCNOC(=O)CC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180400 | 11373 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 592 | 22 | 1 | 8 | 5.8 | CCCCCCCCCCCCCCCNOC(=O)CC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125411 | 11373 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 592 | 22 | 1 | 8 | 5.8 | CCCCCCCCCCCCCCCNOC(=O)CC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 10383132 | 115502 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 6 | 0 | 4 | 2.8 | N#CC(c1cccnc1)N1CCN(C(=O)CCCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL335556 | 115502 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 6 | 0 | 4 | 2.8 | N#CC(c1cccnc1)N1CCN(C(=O)CCCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 15123182 | 11587 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 517 | 11 | 0 | 5 | 5.1 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181204 | 11587 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 517 | 11 | 0 | 5 | 5.1 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL158907 | 11587 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 517 | 11 | 0 | 5 | 5.1 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm00082a007 | ||
| 10064545 | 110781 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 319 | 2 | 2 | 5 | 1.8 | Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)NCCN2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL326517 | 110781 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 319 | 2 | 2 | 5 | 1.8 | Cc1nc2cnccc2n1-c1ccc(C2=CC(=O)NCCN2)cc1 | 10.1021/jm00018a011 | ||
| 10249498 | 13003 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CNc2cccc3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1190421 | 13003 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CNc2cccc3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL540829 | 13003 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 3.1 | N#CC(c1cccnc1)N1CCN(C(=O)CNc2cccc3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| 14966961 | 13762 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 425 | 7 | 0 | 5 | 4.9 | N#CC(c1cccnc1)N1CCC(OC(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1196065 | 13762 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 425 | 7 | 0 | 5 | 4.9 | N#CC(c1cccnc1)N1CCC(OC(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3216875 | 13762 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 425 | 7 | 0 | 5 | 4.9 | N#CC(c1cccnc1)N1CCC(OC(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 1131684 | 23580 | 15 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 371 | 5 | 0 | 3 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133586 | 23580 | 15 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 371 | 5 | 0 | 3 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 10025387 | 24005 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 424 | 7 | 0 | 4 | 4.2 | N#CC(c1cccnc1)N1CCN(C(=O)C(CCc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133964 | 24005 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 424 | 7 | 0 | 4 | 4.2 | N#CC(c1cccnc1)N1CCN(C(=O)C(CCc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10364365 | 25066 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.0 | Cn1ccc(C(C#N)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1021/jm00100a018 | ||
| CHEMBL134877 | 25066 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.0 | Cn1ccc(C(C#N)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1021/jm00100a018 | ||
| 10446714 | 166904 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 286 | 5 | 0 | 4 | 2.0 | CCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL429877 | 166904 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 286 | 5 | 0 | 4 | 2.0 | CCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 10095628 | 206654 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 7 | 1 | 6 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2ccoc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL99621 | 206654 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 7 | 1 | 6 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2ccoc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14992351 | 168888 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 647 | 25 | 0 | 8 | 8.1 | CCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL44281 | 168888 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 647 | 25 | 0 | 8 | 8.1 | CCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| 14785874 | 11362 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 22 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180381 | 11362 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 22 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124535 | 11362 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 22 | 0 | 3 | 8.1 | CCCCCCCCCCCCCCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 14786017 | 11830 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(CCc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1182753 | 11830 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(CCc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL264467 | 11830 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(CCc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 14992479 | 101008 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc(C(C)=O)c1 | 10.1021/jm00087a023 | ||
| CHEMBL297797 | 101008 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc(C(C)=O)c1 | 10.1021/jm00087a023 | ||
| 44350400 | 12052 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 618 | 24 | 1 | 7 | 7.2 | CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184190 | 12052 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 618 | 24 | 1 | 7 | 7.2 | CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL338345 | 12052 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 618 | 24 | 1 | 7 | 7.2 | CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 15005362 | 110713 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 635 | 8 | 2 | 10 | 5.8 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4c(OC)ncnc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL326474 | 110713 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 635 | 8 | 2 | 10 | 5.8 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4c(OC)ncnc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 21463453 | 11866 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 611 | 27 | 1 | 6 | 8.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1182988 | 11866 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 611 | 27 | 1 | 6 | 8.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL274843 | 11866 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 611 | 27 | 1 | 6 | 8.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10318877 | 108145 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 7 | 1 | 5 | 2.5 | C#CCNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL320676 | 108145 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 7 | 1 | 5 | 2.5 | C#CCNC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 10403733 | 22557 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 320 | 4 | 0 | 4 | 2.0 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132780 | 22557 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 320 | 4 | 0 | 4 | 2.0 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10370881 | 161225 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 574 | 15 | 0 | 10 | 4.4 | CCC(CC)C(=O)OCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1Cc1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL414007 | 161225 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 574 | 15 | 0 | 10 | 4.4 | CCC(CC)C(=O)OCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1Cc1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14785934 | 11368 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 25 | 0 | 3 | 9.7 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2cccc3ccccc32)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180390 | 11368 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 25 | 0 | 3 | 9.7 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2cccc3ccccc32)O1 | 10.1021/jm00105a058 | ||
| CHEMBL124980 | 11368 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 25 | 0 | 3 | 9.7 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2cccc3ccccc32)O1 | 10.1021/jm00105a058 | ||
| 14992499 | 168923 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 403 | 6 | 0 | 5 | 4.3 | CC(C)(C)c1ccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc1 | 10.1021/jm00087a023 | ||
| CHEMBL44316 | 168923 | 0 | None | - | 1 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 403 | 6 | 0 | 5 | 4.3 | CC(C)(C)c1ccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc1 | 10.1021/jm00087a023 | ||
| 15005346 | 110200 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cccnc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL326012 | 110200 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cccnc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10048850 | 4200 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 4.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(Nc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100547 | 4200 | 0 | None | - | 1 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 4.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(Nc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 460131 | 96857 | 4 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 631 | 13 | 1 | 10 | 3.9 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)CC(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL269132 | 96857 | 4 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 631 | 13 | 1 | 10 | 3.9 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)CC(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 11450461 | 89100 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL2373416 | 89100 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O | 10.1016/j.ejmech.2020.112957 | ||
| 168273696 | 189814 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 350 | 0 | 2 | 5 | 2.1 | C[C@@H]1[C@@H](O)C=C2C(=O)[C@H]3O[C@@]3(C)CCC[C@H]3O[C@@]3(C)C[C@]1(C)[C@@]2(C)O | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL5177763 | 189814 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 350 | 0 | 2 | 5 | 2.1 | C[C@@H]1[C@@H](O)C=C2C(=O)[C@H]3O[C@@]3(C)CCC[C@H]3O[C@@]3(C)C[C@]1(C)[C@@]2(C)O | 10.1016/j.ejmech.2020.112957 | ||
| 168271435 | 190009 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 304 | 0 | 1 | 3 | 3.4 | C/C1=C\CC[C@@H]2O[C@H]2C(=O)C2=CC[C@@H](C)[C@@](C)(C[C@@H]1O)[C@@H]2C | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL5180736 | 190009 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 304 | 0 | 1 | 3 | 3.4 | C/C1=C\CC[C@@H]2O[C@H]2C(=O)C2=CC[C@@H](C)[C@@](C)(C[C@@H]1O)[C@@H]2C | 10.1016/j.ejmech.2020.112957 | ||
| 168280492 | 190159 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 334 | 0 | 1 | 4 | 3.2 | C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@]2(C)O | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL5182952 | 190159 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 334 | 0 | 1 | 4 | 3.2 | C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@]2(C)O | 10.1016/j.ejmech.2020.112957 | ||
| 132820021 | 191506 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 316 | 0 | 0 | 3 | 4.0 | C=C1C2=CC[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL5203145 | 191506 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 316 | 0 | 0 | 3 | 4.0 | C=C1C2=CC[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O | 10.1016/j.ejmech.2020.112957 | ||
| 163112293 | 191902 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 318 | 0 | 0 | 3 | 4.1 | C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@H]2C | 10.1016/j.ejmech.2020.112957 | ||
| CHEMBL5209111 | 191902 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 318 | 0 | 0 | 3 | 4.1 | C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@]1(C)[C@@H]2C | 10.1016/j.ejmech.2020.112957 | ||
| 10042993 | 10773 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 342 | 2 | 1 | 7 | 3.1 | Cc1nc2cnccc2n1-c1ccc(-c2cc(O)n3nccc3n2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL117250 | 10773 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 342 | 2 | 1 | 7 | 3.1 | Cc1nc2cnccc2n1-c1ccc(-c2cc(O)n3nccc3n2)cc1 | 10.1021/jm00018a011 | ||
| 11725381 | 13654 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 349 | 5 | 0 | 5 | 1.9 | CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL1195359 | 13654 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 349 | 5 | 0 | 5 | 1.9 | CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL554398 | 13654 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 349 | 5 | 0 | 5 | 1.9 | CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| 15123167 | 11593 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 7 | 0 | 5 | 1.9 | CCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181210 | 11593 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 7 | 0 | 5 | 1.9 | CCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL159055 | 11593 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 7 | 0 | 5 | 1.9 | CCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 14786019 | 12050 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 533 | 23 | 1 | 4 | 7.2 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCCc2cccc[n+]2CC)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184187 | 12050 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 533 | 23 | 1 | 4 | 7.2 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCCc2cccc[n+]2CC)C1 | 10.1021/jm00105a058 | ||
| CHEMBL338260 | 12050 | 0 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 533 | 23 | 1 | 4 | 7.2 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCCc2cccc[n+]2CC)C1 | 10.1021/jm00105a058 | ||
| 14885642 | 31948 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | CC(=O)N1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL140919 | 31948 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | CC(=O)N1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1 | 10.1021/jm00105a069 | ||
| 3075897 | 96502 | 9 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 658 | 18 | 0 | 10 | 5.4 | CCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL266184 | 96502 | 9 | None | - | 1 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 658 | 18 | 0 | 10 | 5.4 | CCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14992359 | 101005 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1ccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)cc1 | 10.1021/jm00087a023 | ||
| CHEMBL297778 | 101005 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1ccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)cc1 | 10.1021/jm00087a023 | ||
| 21463436 | 11021 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 645 | 24 | 1 | 5 | 9.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178061 | 11021 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 645 | 24 | 1 | 5 | 9.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12382 | 11021 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 645 | 24 | 1 | 5 | 9.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992337 | 101037 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 633 | 23 | 0 | 8 | 7.7 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1C | 10.1021/jm00087a023 | ||
| CHEMBL297988 | 101037 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 633 | 23 | 0 | 8 | 7.7 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1C | 10.1021/jm00087a023 | ||
| 10458039 | 4153 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 7 | 2 | 7 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2cccnc2O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100281 | 4153 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 7 | 2 | 7 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2cccnc2O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 9987194 | 11028 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 659 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178075 | 11028 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 659 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12558 | 11028 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 659 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O | 10.1016/0960-894X(95)00174-R | ||
| 3075902 | 95266 | 9 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 602 | 14 | 0 | 10 | 3.8 | CCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL258253 | 95266 | 9 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 602 | 14 | 0 | 10 | 3.8 | CCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 3075895 | 96780 | 4 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 614 | 11 | 0 | 10 | 3.8 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C3CCCCC3)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL268597 | 96780 | 4 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 614 | 11 | 0 | 10 | 3.8 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C3CCCCC3)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 10372227 | 11205 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179274 | 11205 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67302 | 11205 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14992461 | 171981 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 607 | 20 | 0 | 6 | 9.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1Cl | 10.1021/jm00087a023 | ||
| CHEMBL44844 | 171981 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 607 | 20 | 0 | 6 | 9.1 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1Cl | 10.1021/jm00087a023 | ||
| CHEMBL104290 | 4780 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 585 | 10 | 2 | 8 | 6.4 | CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 15005375 | 110211 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 626 | 7 | 2 | 9 | 6.9 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1csc2ccccc12 | 10.1021/jm00095a005 | ||
| CHEMBL326039 | 110211 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 626 | 7 | 2 | 9 | 6.9 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1csc2ccccc12 | 10.1021/jm00095a005 | ||
| 10480355 | 12450 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 481 | 5 | 0 | 7 | 4.1 | CCN(CC)C(=O)c1cnc2c(c1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| CHEMBL118672 | 12450 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 481 | 5 | 0 | 7 | 4.1 | CCN(CC)C(=O)c1cnc2c(c1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| 15005365 | 5209 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 583 | 6 | 2 | 7 | 6.2 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)NC(C)(C)C)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL106526 | 5209 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 583 | 6 | 2 | 7 | 6.2 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)NC(C)(C)C)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 15005374 | 106976 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 614 | 7 | 2 | 10 | 5.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccc2c1OCO2 | 10.1021/jm00095a005 | ||
| CHEMBL318348 | 106976 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 614 | 7 | 2 | 10 | 5.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccc2c1OCO2 | 10.1021/jm00095a005 | ||
| 15005357 | 109269 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 618 | 8 | 2 | 8 | 6.6 | CCOC(=O)C1=C(c2ccc(-n3c(CC)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL323067 | 109269 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 618 | 8 | 2 | 8 | 6.6 | CCOC(=O)C1=C(c2ccc(-n3c(CC)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10339861 | 12214 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 382 | 2 | 0 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cccnc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL118511 | 12214 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 382 | 2 | 0 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cccnc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10342483 | 12659 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 427 | 3 | 0 | 7 | 4.1 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C(C)C)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL118793 | 12659 | 0 | None | - | 1 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 427 | 3 | 0 | 7 | 4.1 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C(C)C)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 15005358 | 109260 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 658 | 7 | 2 | 8 | 7.1 | CCOC(=O)C1=C(c2ccc(-n3c(C(F)(F)F)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL323023 | 109260 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 658 | 7 | 2 | 8 | 7.1 | CCOC(=O)C1=C(c2ccc(-n3c(C(F)(F)F)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10365462 | 4138 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 0 | 5 | 2.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2=O)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100190 | 4138 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 0 | 5 | 2.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCCC2=O)CC1 | 10.1021/jm00072a019 | ||
| 10366660 | 4624 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103408 | 4624 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10050241 | 4655 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 8 | 0 | 5 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CN(C=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103571 | 4655 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 8 | 0 | 5 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CN(C=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14992477 | 178497 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)=O)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47159 | 178497 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)=O)c1 | 10.1021/jm00087a023 | ||
| 5312127 | 62989 | 1 | None | -23 | 2 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1021/jm00060a006 | ||
| CHEMBL1793831 | 62989 | 1 | None | -23 | 2 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1021/jm00060a006 | ||
| 15005343 | 109282 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 568 | 7 | 2 | 8 | 5.5 | CCOC(=O)C1=C(c2ccc(-n3nc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL323151 | 109282 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 568 | 7 | 2 | 8 | 5.5 | CCOC(=O)C1=C(c2ccc(-n3nc(C)nc3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 14992515 | 177872 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 645 | 23 | 0 | 7 | 9.3 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3CC(C)C)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL46615 | 177872 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 645 | 23 | 0 | 7 | 9.3 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3CC(C)C)c2)c1OC | 10.1021/jm00087a023 | ||
| 14785932 | 11355 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 504 | 25 | 0 | 3 | 8.6 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2ccccc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180368 | 11355 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 504 | 25 | 0 | 3 | 8.6 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2ccccc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL124184 | 11355 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 504 | 25 | 0 | 3 | 8.6 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2ccccc2)O1 | 10.1021/jm00105a058 | ||
| 14785920 | 12064 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 496 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184206 | 12064 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 496 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338883 | 12064 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 496 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 44374375 | 11611 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1181265 | 11611 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL160994 | 11611 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 10001344 | 4538 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 6 | 1 | 5 | 2.4 | CC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL102774 | 4538 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 405 | 6 | 1 | 5 | 2.4 | CC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 129796 | 99990 | 31 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL29067 | 99990 | 31 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 3075896 | 201086 | 6 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 630 | 16 | 0 | 10 | 4.6 | CCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6211 | 201086 | 6 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 630 | 16 | 0 | 10 | 4.6 | CCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 23042919 | 11372 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 524 | 25 | 0 | 4 | 8.9 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2cscc2C)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180397 | 11372 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 524 | 25 | 0 | 4 | 8.9 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2cscc2C)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125315 | 11372 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 524 | 25 | 0 | 4 | 8.9 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[n+]2cscc2C)O1 | 10.1021/jm00105a058 | ||
| 14785861 | 12071 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 494 | 22 | 0 | 4 | 8.2 | CCCCCCCCCCCCCCCC1CCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184216 | 12071 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 494 | 22 | 0 | 4 | 8.2 | CCCCCCCCCCCCCCCC1CCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL339676 | 12071 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 494 | 22 | 0 | 4 | 8.2 | CCCCCCCCCCCCCCCC1CCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 10026203 | 13362 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 8 | 0 | 5 | 3.5 | N#CC(c1cccnc1)N1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1193235 | 13362 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 8 | 0 | 5 | 3.5 | N#CC(c1cccnc1)N1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL544607 | 13362 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 8 | 0 | 5 | 3.5 | N#CC(c1cccnc1)N1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10411043 | 4197 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 441 | 6 | 1 | 6 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccccc2)c2cccnc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100522 | 4197 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 441 | 6 | 1 | 6 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccccc2)c2cccnc2)CC1 | 10.1021/jm00072a019 | ||
| 10384056 | 106784 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 362 | 5 | 0 | 4 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(C)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL316969 | 106784 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 362 | 5 | 0 | 4 | 3.3 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(C)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10461497 | 96587 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 617 | 12 | 1 | 10 | 3.6 | CCC(C)(C)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL266886 | 96587 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 617 | 12 | 1 | 10 | 3.6 | CCC(C)(C)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 15005377 | 5345 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 571 | 7 | 2 | 9 | 5.1 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1 | 10.1021/jm00095a005 | ||
| CHEMBL107241 | 5345 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 571 | 7 | 2 | 9 | 5.1 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1 | 10.1021/jm00095a005 | ||
| 14785952 | 11367 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 618 | 24 | 1 | 7 | 7.3 | CCCCCCCCCCCCCCCCCNOC(=O)CC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180388 | 11367 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 618 | 24 | 1 | 7 | 7.3 | CCCCCCCCCCCCCCCCCNOC(=O)CC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL124906 | 11367 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 618 | 24 | 1 | 7 | 7.3 | CCCCCCCCCCCCCCCCCNOC(=O)CC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14992339 | 29138 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 633 | 23 | 0 | 8 | 7.7 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2ccccc2C[n+]2ccsc2)OC)c1C | 10.1021/jm00087a023 | ||
| CHEMBL13835 | 29138 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 633 | 23 | 0 | 8 | 7.7 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2ccccc2C[n+]2ccsc2)OC)c1C | 10.1021/jm00087a023 | ||
| 122159 | 100884 | 12 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00057a008 | ||
| CHEMBL296958 | 100884 | 12 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00057a008 | ||
| 14554127 | 112826 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 380 | 2 | 0 | 2 | 5.1 | CCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL331603 | 112826 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 380 | 2 | 0 | 2 | 5.1 | CCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 14992507 | 101059 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3cscc3C)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL298209 | 101059 | 0 | None | - | 1 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3cscc3C)c2)c1OC | 10.1021/jm00087a023 | ||
| 10389948 | 206675 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 469 | 8 | 2 | 6 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)[C@H](CO)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL99795 | 206675 | 0 | None | - | 1 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 469 | 8 | 2 | 6 | 2.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)[C@H](CO)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14885632 | 20803 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 348 | 1 | 0 | 3 | 3.6 | COc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(C)=O)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL131155 | 20803 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 348 | 1 | 0 | 3 | 3.6 | COc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(C)=O)CC1 | 10.1021/jm00105a069 | ||
| 14885627 | 114322 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | CC(=O)N1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL334127 | 114322 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | CC(=O)N1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 10404046 | 10036 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 325 | 2 | 1 | 4 | 4.3 | Cc1nc2cnccc2n1-c1ccc(-c2nc3ccccc3[nH]2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL115695 | 10036 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 325 | 2 | 1 | 4 | 4.3 | Cc1nc2cnccc2n1-c1ccc(-c2nc3ccccc3[nH]2)cc1 | 10.1021/jm00018a011 | ||
| 10341675 | 106836 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 413 | 6 | 0 | 5 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)n2cccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL317380 | 106836 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 413 | 6 | 0 | 5 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)n2cccc2)CC1 | 10.1021/jm00072a019 | ||
| 9918334 | 11856 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 602 | 22 | 1 | 5 | 8.2 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1182944 | 11856 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 602 | 22 | 1 | 5 | 8.2 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL273639 | 11856 | 0 | None | - | 1 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 602 | 22 | 1 | 5 | 8.2 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992529 | 172182 | 0 | None | - | 1 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 605 | 24 | 0 | 6 | 9.1 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[N+](CC)(CC)CC)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL45092 | 172182 | 0 | None | - | 1 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 605 | 24 | 0 | 6 | 9.1 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[N+](CC)(CC)CC)c2)c1OC | 10.1021/jm00087a023 | ||
| 10090118 | 13666 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.1 | CC(NCC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL1195412 | 13666 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.1 | CC(NCC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL554463 | 13666 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 363 | 6 | 1 | 5 | 2.1 | CC(NCC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1 | 10.1021/jm00100a018 | ||
| 10319443 | 13736 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 5 | 3.6 | N#CC(c1ccncc1)N1CCN(CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1195908 | 13736 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 5 | 3.6 | N#CC(c1ccncc1)N1CCN(CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL555567 | 13736 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 5 | 3.6 | N#CC(c1ccncc1)N1CCN(CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10433324 | 116119 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL336816 | 116119 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10474804 | 206680 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 2.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(C)(O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL99833 | 206680 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 2.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(C)(O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10050053 | 4618 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 8 | 1 | 6 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)OCC(C)C)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103368 | 4618 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 8 | 1 | 6 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)OCC(C)C)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10476736 | 21302 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 5 | 1 | 4 | 3.8 | N#CC(c1cccnc1)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL131597 | 21302 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 411 | 5 | 1 | 4 | 3.8 | N#CC(c1cccnc1)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14785891 | 12054 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 25 | 0 | 5 | 8.0 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184193 | 12054 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 25 | 0 | 5 | 8.0 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL338475 | 12054 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 25 | 0 | 5 | 8.0 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 21463468 | 11015 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 659 | 24 | 1 | 5 | 9.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178049 | 11015 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 659 | 24 | 1 | 5 | 9.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12067 | 11015 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 659 | 24 | 1 | 5 | 9.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10372180 | 93596 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 659 | 17 | 1 | 10 | 4.8 | CCCCCCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL24879 | 93596 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 659 | 17 | 1 | 10 | 4.8 | CCCCCCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 10326598 | 11558 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 497 | 17 | 0 | 4 | 6.4 | CCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OCCCCCCC | 10.1021/jm00057a008 | ||
| CHEMBL1181104 | 11558 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 497 | 17 | 0 | 4 | 6.4 | CCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OCCCCCCC | 10.1021/jm00057a008 | ||
| CHEMBL155663 | 11558 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 497 | 17 | 0 | 4 | 6.4 | CCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OCCCCCCC | 10.1021/jm00057a008 | ||
| 14785914 | 11393 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 27 | 0 | 4 | 9.4 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180447 | 11393 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 27 | 0 | 4 | 9.4 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL126523 | 11393 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 27 | 0 | 4 | 9.4 | CCCCCCCCCCCCCCCCCC1OCC(COCCCCCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 10024551 | 14378 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 410 | 2 | 0 | 6 | 4.2 | Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| CHEMBL120322 | 14378 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 410 | 2 | 0 | 6 | 4.2 | Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| 10072622 | 4681 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 3.7 | CCc1ncccc1C(C#N)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103773 | 4681 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 3.7 | CCc1ncccc1C(C#N)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 457910 | 96856 | 1 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 631 | 14 | 0 | 10 | 4.0 | CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL269131 | 96856 | 1 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 631 | 14 | 0 | 10 | 4.0 | CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14992373 | 179909 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 669 | 23 | 0 | 8 | 8.5 | CCCCCCCCCCCCOc1ccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c2ccccc12 | 10.1021/jm00087a023 | ||
| CHEMBL47531 | 179909 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 669 | 23 | 0 | 8 | 8.5 | CCCCCCCCCCCCOc1ccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c2ccccc12 | 10.1021/jm00087a023 | ||
| 21463457 | 11011 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 595 | 27 | 1 | 6 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178043 | 11011 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 595 | 27 | 1 | 6 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11962 | 11011 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 595 | 27 | 1 | 6 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992396 | 10118 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 588 | 25 | 3 | 6 | 7.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(C/N=C(\S)NC)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL1160079 | 10118 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 588 | 25 | 3 | 6 | 7.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(C/N=C(\S)NC)c1)OC | 10.1021/jm00087a023 | ||
| 10394593 | 201356 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 659 | 16 | 1 | 10 | 4.6 | CCCCC(CC)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6350 | 201356 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 659 | 16 | 1 | 10 | 4.6 | CCCCC(CC)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14785872 | 11408 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 566 | 29 | 0 | 4 | 9.7 | CCCCCCCCCCCCCCCCCCOCC1CC(COCCCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180477 | 11408 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 566 | 29 | 0 | 4 | 9.7 | CCCCCCCCCCCCCCCCCCOCC1CC(COCCCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL127417 | 11408 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 566 | 29 | 0 | 4 | 9.7 | CCCCCCCCCCCCCCCCCCOCC1CC(COCCCCCCC[n+]2ccsc2)CO1 | 10.1021/jm00105a058 | ||
| 14785879 | 11378 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 438 | 20 | 0 | 3 | 7.3 | CCCCCCCCCCCCCCC1COC(COCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180406 | 11378 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 438 | 20 | 0 | 3 | 7.3 | CCCCCCCCCCCCCCC1COC(COCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL125513 | 11378 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 438 | 20 | 0 | 3 | 7.3 | CCCCCCCCCCCCCCC1COC(COCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 14992321 | 167265 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 583 | 25 | 0 | 7 | 7.5 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1ccc(C[n+]2ccsc2)cc1)OC | 10.1021/jm00087a023 | ||
| CHEMBL430741 | 167265 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 583 | 25 | 0 | 7 | 7.5 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1ccc(C[n+]2ccsc2)cc1)OC | 10.1021/jm00087a023 | ||
| 44267821 | 11014 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 604 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178046 | 11014 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 604 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12012 | 11014 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 604 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O | 10.1016/0960-894X(95)00173-Q | ||
| 14992387 | 101036 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 577 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccccc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL297974 | 101036 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 577 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccccc2)c1)OC | 10.1021/jm00087a023 | ||
| 10094543 | 10222 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 435 | 2 | 1 | 5 | 4.9 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3C(=O)NC2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL116198 | 10222 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 435 | 2 | 1 | 5 | 4.9 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3C(=O)NC2)cc1 | 10.1021/jm00018a011 | ||
| 10367028 | 12634 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 460 | 2 | 0 | 6 | 4.4 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncc(Br)cc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL118780 | 12634 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 460 | 2 | 0 | 6 | 4.4 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncc(Br)cc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10433727 | 13537 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 2 | 1 | 6 | 4.3 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL119452 | 13537 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 2 | 1 | 6 | 4.3 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Br)cnc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10253671 | 112515 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 459 | 3 | 0 | 7 | 4.5 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn4c3N(CC4)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL331124 | 112515 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 459 | 3 | 0 | 7 | 4.5 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccccc4)nn4c3N(CC4)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 15123186 | 12272 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.6 | CCCCCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1185572 | 12272 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.6 | CCCCCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL421843 | 12272 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.6 | CCCCCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 129796 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00018a011 | ||
| CHEMBL29067 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00018a011 | ||
| 129796 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00018a012 | ||
| CHEMBL29067 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00018a012 | ||
| 129796 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL29067 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 44350391 | 11380 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180409 | 11380 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL125576 | 11380 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL128034 | 11380 | 0 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 10452437 | 14045 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 381 | 2 | 0 | 5 | 4.2 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL119847 | 14045 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 381 | 2 | 0 | 5 | 4.2 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| 129796 | 99990 | 31 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL29067 | 99990 | 31 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 1859 | 431 | 53 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00105a069 | ||
| 1860 | 431 | 53 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00105a069 | ||
| 65889 | 431 | 53 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00105a069 | ||
| CHEMBL280164 | 431 | 53 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00105a069 | ||
| 15123178 | 12129 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 603 | 25 | 0 | 5 | 8.9 | CCCCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1184468 | 12129 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 603 | 25 | 0 | 5 | 8.9 | CCCCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL350819 | 12129 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 603 | 25 | 0 | 5 | 8.9 | CCCCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 9889404 | 4191 | 1 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 3.5 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100493 | 4191 | 1 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 3.5 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 3075901 | 201200 | 4 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6270 | 201200 | 4 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 11743095 | 13634 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 8 | 0 | 7 | 2.4 | COc1cc(CCC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL1195221 | 13634 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 8 | 0 | 7 | 2.4 | COc1cc(CCC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL3215746 | 13634 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 8 | 0 | 7 | 2.4 | COc1cc(CCC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 10002744 | 4634 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 3.8 | Cc1ncccc1C(CO)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103465 | 4634 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 3.8 | Cc1ncccc1C(CO)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14992345 | 178293 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 601 | 25 | 0 | 9 | 5.5 | CCCCCCCCCCOCCOCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL46972 | 178293 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 601 | 25 | 0 | 9 | 5.5 | CCCCCCCCCCOCCOCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| 14992367 | 177130 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 661 | 25 | 0 | 8 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL46421 | 177130 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 661 | 25 | 0 | 8 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| 10370152 | 4678 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 543 | 10 | 0 | 5 | 5.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103761 | 4678 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 543 | 10 | 0 | 5 | 5.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 3025824 | 162745 | 14 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 421 | 6 | 1 | 6 | 2.6 | COC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL418792 | 162745 | 14 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 421 | 6 | 1 | 6 | 2.6 | COC(=O)NC(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 19829203 | 11601 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 598 | 24 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1scc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181242 | 11601 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 598 | 24 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1scc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL160529 | 11601 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 598 | 24 | 1 | 7 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1scc[n+]1C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14885641 | 114590 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 317 | 0 | 0 | 1 | 4.2 | CC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL334318 | 114590 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 317 | 0 | 0 | 1 | 4.2 | CC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1 | 10.1021/jm00105a069 | ||
| 14992497 | 101040 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 459 | 6 | 0 | 5 | 5.6 | CC(C)(C)c1cc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc(C(C)(C)C)c1 | 10.1021/jm00087a023 | ||
| CHEMBL298011 | 101040 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 459 | 6 | 0 | 5 | 5.6 | CC(C)(C)c1cc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc(C(C)(C)C)c1 | 10.1021/jm00087a023 | ||
| 15045517 | 4848 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 531 | 6 | 2 | 8 | 5.2 | COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)NC(C)=C(C(=O)Nc2nccs2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL104620 | 4848 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 531 | 6 | 2 | 8 | 5.2 | COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)NC(C)=C(C(=O)Nc2nccs2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 6324617 | 188972 | 34 | None | -2 | 2 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL514432 | 188972 | 34 | None | -2 | 2 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/0960-894X(95)00174-R | ||
| 6324617 | 188972 | 34 | None | -2 | 2 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL514432 | 188972 | 34 | None | -2 | 2 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/0960-894X(95)00173-Q | ||
| 10433384 | 4596 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 440 | 7 | 0 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103180 | 4596 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 440 | 7 | 0 | 5 | 3.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 3075911 | 201348 | 3 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 574 | 12 | 0 | 10 | 3.0 | CCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6341 | 201348 | 3 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 574 | 12 | 0 | 10 | 3.0 | CCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 3075903 | 201100 | 7 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 546 | 10 | 0 | 10 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6217 | 201100 | 7 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 546 | 10 | 0 | 10 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 14992313 | 99993 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 589 | 21 | 0 | 7 | 8.1 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL290693 | 99993 | 0 | None | - | 1 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 589 | 21 | 0 | 7 | 8.1 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1OC | 10.1021/jm00087a023 | ||
| 9985928 | 12118 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1ccccc1CN(Cc1cccc[n+]1C)C(C)=O | 10.1021/jm00057a008 | ||
| CHEMBL1184398 | 12118 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1ccccc1CN(Cc1cccc[n+]1C)C(C)=O | 10.1021/jm00057a008 | ||
| CHEMBL347593 | 12118 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 467 | 18 | 0 | 2 | 7.1 | CCCCCCCCCCCCCCOc1ccccc1CN(Cc1cccc[n+]1C)C(C)=O | 10.1021/jm00057a008 | ||
| 10405802 | 11308 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 3 | 0 | 6 | 4.4 | Cc1nc2cnccc2n1-c1ccc(-c2nnc(-c3ccccc3)o2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL118017 | 11308 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 3 | 0 | 6 | 4.4 | Cc1nc2cnccc2n1-c1ccc(-c2nnc(-c3ccccc3)o2)cc1 | 10.1021/jm00018a011 | ||
| 10254227 | 4657 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 472 | 7 | 0 | 5 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)C[S+]([O-])C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103584 | 4657 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 472 | 7 | 0 | 5 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)C[S+]([O-])C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 9978047 | 13361 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 396 | 6 | 0 | 7 | 2.1 | COc1cc(C(=O)N2CCN(C(C#N)c3ccccn3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL1193234 | 13361 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 396 | 6 | 0 | 7 | 2.1 | COc1cc(C(=O)N2CCN(C(C#N)c3ccccn3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL544606 | 13361 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 396 | 6 | 0 | 7 | 2.1 | COc1cc(C(=O)N2CCN(C(C#N)c3ccccn3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 10430314 | 22418 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 387 | 5 | 0 | 3 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)N1CC[N+]([O-])(Cc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132665 | 22418 | 0 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 387 | 5 | 0 | 3 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)N1CC[N+]([O-])(Cc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 9977185 | 112785 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 382 | 2 | 0 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncccc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL331512 | 112785 | 0 | None | - | 1 | Guinea pig | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 382 | 2 | 0 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncccc3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 10428543 | 13886 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1197021 | 13886 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL559013 | 13886 | 0 | None | - | 1 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| 3075898 | 85100 | 2 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 770 | 26 | 0 | 10 | 8.5 | CCCCCCCCCCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL227457 | 85100 | 2 | None | - | 1 | Guinea pig | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 770 | 26 | 0 | 10 | 8.5 | CCCCCCCCCCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 10345734 | 4646 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 8 | 0 | 6 | 4.0 | CCOC(=O)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL103533 | 4646 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 8 | 0 | 6 | 4.0 | CCOC(=O)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 10431694 | 23371 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 410 | 7 | 0 | 7 | 2.1 | COc1cc(CC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL133425 | 23371 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 410 | 7 | 0 | 7 | 2.1 | COc1cc(CC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 14992457 | 178033 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 601 | 18 | 0 | 6 | 8.9 | CCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)(C)C)c1 | 10.1021/jm00087a023 | ||
| CHEMBL46735 | 178033 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 601 | 18 | 0 | 6 | 8.9 | CCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)(C)C)c1 | 10.1021/jm00087a023 | ||
| 10341289 | 163739 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 406 | 6 | 2 | 5 | 1.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(N)=O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL421204 | 163739 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 406 | 6 | 2 | 5 | 1.9 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(N)=O)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 3075910 | 75060 | 7 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.5 | CCC(C)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL204022 | 75060 | 7 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 617 | 13 | 1 | 10 | 3.5 | CCC(C)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14785969 | 11383 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 559 | 22 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180419 | 11383 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 559 | 22 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL125903 | 11383 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 559 | 22 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCCCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 14992361 | 171221 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 647 | 23 | 0 | 8 | 8.0 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OC)c1C | 10.1021/jm00087a023 | ||
| CHEMBL44679 | 171221 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 647 | 23 | 0 | 8 | 8.0 | CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OC)c1C | 10.1021/jm00087a023 | ||
| 9972438 | 12813 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 306 | 3 | 0 | 4 | 2.1 | N#CC(c1cccnc1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1189101 | 12813 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 306 | 3 | 0 | 4 | 2.1 | N#CC(c1cccnc1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3215984 | 12813 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 306 | 3 | 0 | 4 | 2.1 | N#CC(c1cccnc1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL320241 | 108076 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 586 | 10 | 2 | 9 | 5.8 | CCO/C(O)=C1\C(COCCn2c(C)nc3ccncc32)=NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 14785928 | 12063 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 540 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184203 | 12063 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 540 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338850 | 12063 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 540 | 25 | 0 | 6 | 7.4 | CCCCCCCCCCCCCCCCOCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 10338957 | 114044 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 367 | 2 | 1 | 5 | 4.2 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3NC(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL333674 | 114044 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 367 | 2 | 1 | 5 | 4.2 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3NC(=O)C2)cc1 | 10.1021/jm00018a011 | ||
| 9978272 | 167546 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 399 | 2 | 0 | 7 | 3.3 | Cc1nn(C)c2c1N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL432832 | 167546 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 399 | 2 | 0 | 7 | 3.3 | Cc1nn(C)c2c1N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 15005345 | 108284 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 7.0 | CCOC(=O)C1=C(c2ccc(-c3c(C)nc4sccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL320900 | 108284 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 609 | 7 | 2 | 8 | 7.0 | CCOC(=O)C1=C(c2ccc(-c3c(C)nc4sccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10457056 | 113303 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 462 | 3 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccncc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL332448 | 113303 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 462 | 3 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccncc4)nn(C)c3N(C)C(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 9981039 | 113305 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 446 | 2 | 1 | 6 | 4.3 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncc(Br)cc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL332455 | 113305 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 446 | 2 | 1 | 6 | 4.3 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncc(Br)cc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 15005364 | 109387 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 527 | 6 | 2 | 7 | 4.8 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(N)=O)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL323407 | 109387 | 0 | None | - | 1 | Guinea pig | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 527 | 6 | 2 | 7 | 4.8 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(N)=O)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 15005361 | 109205 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 632 | 7 | 2 | 8 | 7.0 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4c(C)nc(C)cc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL322772 | 109205 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 632 | 7 | 2 | 8 | 7.0 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4c(C)nc(C)cc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 10365929 | 13500 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.4 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1194240 | 13500 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.4 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL545773 | 13500 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.4 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10094623 | 97724 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 437 | 5 | 1 | 5 | 3.5 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC2c3ccccc3-c3ccccc32)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL273945 | 97724 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 437 | 5 | 1 | 5 | 3.5 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC2c3ccccc3-c3ccccc32)CC1 | 10.1021/jm00072a019 | ||
| 9986982 | 96452 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 672 | 13 | 0 | 11 | 4.0 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(Cl)cc3)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL265773 | 96452 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 672 | 13 | 0 | 11 | 4.0 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(Cl)cc3)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 10092997 | 13717 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1ccncc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1195793 | 13717 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1ccncc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3216867 | 13717 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.0 | N#CC(c1ccncc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 15123190 | 11620 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 0 | 6 | 5.1 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181289 | 11620 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 0 | 6 | 5.1 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| CHEMBL162251 | 11620 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 541 | 17 | 0 | 6 | 5.1 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCCCCCOCCCc2ccccc2)C1 | 10.1021/jm00082a007 | ||
| 14992505 | 162899 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 617 | 22 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(CC)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL41988 | 162899 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 617 | 22 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(CC)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| 15719134 | 178540 | 0 | None | - | 1 | Guinea pig | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 531 | 18 | 0 | 6 | 7.3 | CCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47192 | 178540 | 0 | None | - | 1 | Guinea pig | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 531 | 18 | 0 | 6 | 7.3 | CCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| 44268223 | 11025 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 563 | 22 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178072 | 11025 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 563 | 22 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12499 | 11025 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 563 | 22 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 14785976 | 11369 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180391 | 11369 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124985 | 11369 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 589 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 10404661 | 13253 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 0 | 4 | 2.4 | N#CC(c1cccnc1)N1CCN(C(=O)CCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1192430 | 13253 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 0 | 4 | 2.4 | N#CC(c1cccnc1)N1CCN(C(=O)CCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3215980 | 13253 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 0 | 4 | 2.4 | N#CC(c1cccnc1)N1CCN(C(=O)CCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10045642 | 21368 | 2 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 385 | 6 | 0 | 3 | 3.9 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL131690 | 21368 | 2 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 385 | 6 | 0 | 3 | 3.9 | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 1114860 | 13035 | 11 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 385 | 5 | 0 | 6 | 1.7 | COc1cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL1190656 | 13035 | 11 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 385 | 5 | 0 | 6 | 1.7 | COc1cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL541330 | 13035 | 11 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 385 | 5 | 0 | 6 | 1.7 | COc1cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 10085405 | 24068 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 286 | 2 | 0 | 4 | 1.8 | CC(C)(C)C(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL134025 | 24068 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 286 | 2 | 0 | 4 | 1.8 | CC(C)(C)C(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 14992357 | 177873 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 675 | 27 | 0 | 8 | 8.9 | CCCCCCCCCCCCCCCCOc1ccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)cc1 | 10.1021/jm00087a023 | ||
| CHEMBL46616 | 177873 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 675 | 27 | 0 | 8 | 8.9 | CCCCCCCCCCCCCCCCOc1ccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)cc1 | 10.1021/jm00087a023 | ||
| 10365930 | 4689 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL103801 | 4689 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10365930 | 4689 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103801 | 4689 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10452217 | 22635 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 8 | 1 | 5 | 2.0 | N#CC(c1cccnc1)N1CCN(C(=O)CNCCCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1203313 | 22635 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 8 | 1 | 5 | 2.0 | N#CC(c1cccnc1)N1CCN(C(=O)CNCCCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132835 | 22635 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 377 | 8 | 1 | 5 | 2.0 | N#CC(c1cccnc1)N1CCN(C(=O)CNCCCc2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992385 | 170287 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 639 | 27 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2CC(C)C)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL44540 | 170287 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 639 | 27 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2CC(C)C)c1)OC | 10.1021/jm00087a023 | ||
| 14786005 | 12079 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 519 | 22 | 1 | 4 | 7.1 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cccc[n+]2CC)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184239 | 12079 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 519 | 22 | 1 | 4 | 7.1 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cccc[n+]2CC)C1 | 10.1021/jm00105a058 | ||
| CHEMBL340480 | 12079 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 519 | 22 | 1 | 4 | 7.1 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cccc[n+]2CC)C1 | 10.1021/jm00105a058 | ||
| 132290 | 100886 | 8 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 631 | 21 | 0 | 8 | 8.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(=O)OC | 10.1021/jm00087a023 | ||
| CHEMBL296973 | 100886 | 8 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 631 | 21 | 0 | 8 | 8.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(=O)OC | 10.1021/jm00087a023 | ||
| 132290 | 100886 | 8 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 631 | 21 | 0 | 8 | 8.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(=O)OC | 10.1021/jm00057a008 | ||
| CHEMBL296973 | 100886 | 8 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 631 | 21 | 0 | 8 | 8.2 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(=O)OC | 10.1021/jm00057a008 | ||
| 14785889 | 12065 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 524 | 26 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCOCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184207 | 12065 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 524 | 26 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCOCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL338977 | 12065 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 524 | 26 | 0 | 4 | 8.5 | CCCCCCCCCCCCCCCCOCC1COC(COCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 44372276 | 11563 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 612 | 25 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCCCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181119 | 11563 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 612 | 25 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCCCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL156397 | 11563 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 612 | 25 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCCCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14992495 | 178554 | 0 | None | - | 1 | Guinea pig | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 467 | 9 | 0 | 6 | 4.9 | Cc1c[n+](Cc2cccc(OP(=O)([O-])Oc3ccc(OCc4ccccc4)cc3)c2)cs1 | 10.1021/jm00087a023 | ||
| CHEMBL47199 | 178554 | 0 | None | - | 1 | Guinea pig | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 467 | 9 | 0 | 6 | 4.9 | Cc1c[n+](Cc2cccc(OP(=O)([O-])Oc3ccc(OCc4ccccc4)cc3)c2)cs1 | 10.1021/jm00087a023 | ||
| 10026204 | 23419 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.6 | N#CC(c1ccncc1)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133457 | 23419 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 8 | 1 | 5 | 3.6 | N#CC(c1ccncc1)N1CCN(C(=O)CCNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 44344958 | 113319 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 435 | 2 | 1 | 8 | 4.3 | Cc1cc2c(cc1C)-n1c(O)nnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL332542 | 113319 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 435 | 2 | 1 | 8 | 4.3 | Cc1cc2c(cc1C)-n1c(O)nnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 10409530 | 4242 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 414 | 4 | 0 | 4 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)/C=C(\c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100839 | 4242 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 414 | 4 | 0 | 4 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)/C=C(\c2ccccc2)C(F)(F)F)CC1 | 10.1021/jm00072a019 | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00174-R | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00174-R | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00173-Q | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00173-Q | ||
| 11744660 | 13561 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(CCNC(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1194682 | 13561 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(CCNC(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL553093 | 13561 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(CCNC(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14785922 | 11375 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 552 | 26 | 0 | 5 | 8.9 | CCCCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180402 | 11375 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 552 | 26 | 0 | 5 | 8.9 | CCCCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125418 | 11375 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 552 | 26 | 0 | 5 | 8.9 | CCCCCCCCCCCCCCCCCCCC1OCC(COC(=O)CCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 10327687 | 11023 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178067 | 11023 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12438 | 11023 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1016/0960-894X(95)00174-R | ||
| 11754151 | 4521 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 6 | 1 | 6 | 3.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)OC(C)(C)C)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL102666 | 4521 | 0 | None | - | 1 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 6 | 1 | 6 | 3.8 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)OC(C)(C)C)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14992465 | 100917 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 641 | 20 | 0 | 6 | 9.7 | CCCCCCCCCCCCCCOc1cc(Cl)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1Cl | 10.1021/jm00087a023 | ||
| CHEMBL297182 | 100917 | 0 | None | - | 1 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 641 | 20 | 0 | 6 | 9.7 | CCCCCCCCCCCCCCOc1cc(Cl)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1Cl | 10.1021/jm00087a023 | ||
| 44372210 | 11609 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 586 | 26 | 1 | 6 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)CC)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181261 | 11609 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 586 | 26 | 1 | 6 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)CC)OC | 10.1021/jm00121a012 | ||
| CHEMBL160910 | 11609 | 0 | None | - | 1 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 586 | 26 | 1 | 6 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)CC)OC | 10.1021/jm00121a012 | ||
| 44268181 | 11022 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178062 | 11022 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12399 | 11022 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 9987603 | 11026 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178073 | 11026 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12554 | 11026 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 44268128 | 11031 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178084 | 11031 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12836 | 11031 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 44267830 | 11017 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 655 | 27 | 1 | 5 | 10.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178052 | 11017 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 655 | 27 | 1 | 5 | 10.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12125 | 11017 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 655 | 27 | 1 | 5 | 10.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992439 | 172091 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 681 | 21 | 0 | 7 | 9.2 | CCCCCCCCCCCCCCOc1cc(Br)cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL44975 | 172091 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 681 | 21 | 0 | 7 | 9.2 | CCCCCCCCCCCCCCOc1cc(Br)cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| 10049993 | 25182 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 462 | 6 | 0 | 4 | 5.1 | Cn1cc(C(C#N)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 | 10.1021/jm00100a018 | ||
| CHEMBL134965 | 25182 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 462 | 6 | 0 | 4 | 5.1 | Cn1cc(C(C#N)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 | 10.1021/jm00100a018 | ||
| 21463423 | 12319 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 630 | 24 | 1 | 5 | 9.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1185897 | 12319 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 630 | 24 | 1 | 5 | 9.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL440088 | 12319 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 630 | 24 | 1 | 5 | 9.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992308 | 172014 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2ccccc2C[n+]2ccsc2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL44887 | 172014 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2ccccc2C[n+]2ccsc2)OC)c1 | 10.1021/jm00087a023 | ||
| 15005337 | 5216 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 553 | 7 | 2 | 7 | 5.8 | CCOC(=O)C1=C(c2ccc(-n3cnc(C)c3)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| CHEMBL106564 | 5216 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 553 | 7 | 2 | 7 | 5.8 | CCOC(=O)C1=C(c2ccc(-n3cnc(C)c3)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00095a005 | ||
| 44372258 | 12128 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 601 | 25 | 1 | 6 | 6.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)N(C)C)OC | 10.1021/jm00121a012 | ||
| CHEMBL1184461 | 12128 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 601 | 25 | 1 | 6 | 6.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)N(C)C)OC | 10.1021/jm00121a012 | ||
| CHEMBL350437 | 12128 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 601 | 25 | 1 | 6 | 6.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)N(C)C)OC | 10.1021/jm00121a012 | ||
| 14992319 | 162440 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 583 | 25 | 0 | 7 | 7.5 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1ccccc1C[n+]1ccsc1)OC | 10.1021/jm00087a023 | ||
| CHEMBL417532 | 162440 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 583 | 25 | 0 | 7 | 7.5 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1ccccc1C[n+]1ccsc1)OC | 10.1021/jm00087a023 | ||
| 10073576 | 11787 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 473 | 7 | 0 | 9 | 3.1 | COCCOCc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| CHEMBL118247 | 11787 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 473 | 7 | 0 | 9 | 3.1 | COCCOCc1nn(C)c2c1N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C | 10.1021/jm00018a012 | ||
| CHEMBL322029 | 108975 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 586 | 10 | 2 | 9 | 5.8 | CCO/C(O)=C1\C(COCCn2c(C)nc3ncccc32)=NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 10092142 | 112820 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 2 | 1 | 6 | 4.2 | Cc1cc(C)c2c(n1)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| CHEMBL331567 | 112820 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 2 | 1 | 6 | 4.2 | Cc1cc(C)c2c(n1)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 | 10.1021/jm00018a012 | ||
| 14785956 | 11384 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180425 | 11384 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL126016 | 11384 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL419779 | 11384 | 0 | None | - | 1 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| 10048849 | 13406 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 7 | 0 | 5 | 3.5 | CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL1193630 | 13406 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 7 | 0 | 5 | 3.5 | CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm00100a018 | ||
| CHEMBL545072 | 13406 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 7 | 0 | 5 | 3.5 | CN(CC(=O)N1CCN(C(C#N)c2cccnc2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm00100a018 | ||
| 3075901 | 201200 | 4 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6270 | 201200 | 4 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL432393 | 167498 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 564 | 9 | 2 | 7 | 6.2 | CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)NC(C)(C)C)[C@@H]1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 15005363 | 113933 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 323 | 5 | 0 | 6 | 2.9 | CCOC(=O)CC(=O)c1ccc(-n2c(C)nc3cnccc32)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL333242 | 113933 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 323 | 5 | 0 | 6 | 2.9 | CCOC(=O)CC(=O)c1ccc(-n2c(C)nc3cnccc32)cc1 | 10.1021/jm00018a011 | ||
| 14785908 | 11410 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 482 | 23 | 0 | 4 | 7.8 | CCCCCCCCCCCCCCCCCC1OCC(COCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180479 | 11410 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 482 | 23 | 0 | 4 | 7.8 | CCCCCCCCCCCCCCCCCC1OCC(COCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127446 | 11410 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 482 | 23 | 0 | 4 | 7.8 | CCCCCCCCCCCCCCCCCC1OCC(COCCCC[n+]2ccsc2)O1 | 10.1021/jm00105a058 | ||
| 14786031 | 11416 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 22 | 0 | 3 | 8.0 | CCCCCCCCCCCCCCC1COC(COCCCCCC[N+]2(C)C=CN=C2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180488 | 11416 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 22 | 0 | 3 | 8.0 | CCCCCCCCCCCCCCC1COC(COCCCCCC[N+]2(C)C=CN=C2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127799 | 11416 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 463 | 22 | 0 | 3 | 8.0 | CCCCCCCCCCCCCCC1COC(COCCCCCC[N+]2(C)C=CN=C2)C1 | 10.1021/jm00105a058 | ||
| 9985407 | 11555 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 439 | 17 | 1 | 2 | 6.5 | CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2cc[n+](C)cc2)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL1181097 | 11555 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 439 | 17 | 1 | 2 | 6.5 | CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2cc[n+](C)cc2)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL155500 | 11555 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 439 | 17 | 1 | 2 | 6.5 | CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2cc[n+](C)cc2)cc1 | 10.1021/jm00057a008 | ||
| 44268194 | 11854 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1182938 | 11854 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL273445 | 11854 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 1853 | 3495 | 27 | None | -6 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10.1021/jm00105a069 | ||
| 60680 | 3495 | 27 | None | -6 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10.1021/jm00105a069 | ||
| CHEMBL10971 | 3495 | 27 | None | -6 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10.1021/jm00105a069 | ||
| 14992325 | 100852 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 654 | 27 | 1 | 8 | 8.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])Oc1ccccc1C[n+]1ccsc1)OC | 10.1021/jm00087a023 | ||
| CHEMBL296668 | 100852 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 654 | 27 | 1 | 8 | 8.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])Oc1ccccc1C[n+]1ccsc1)OC | 10.1021/jm00087a023 | ||
| 14992483 | 178495 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 643 | 23 | 0 | 7 | 9.4 | CCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(=O)CCCCC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47158 | 178495 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 643 | 23 | 0 | 7 | 9.4 | CCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(=O)CCCCC)c1 | 10.1021/jm00087a023 | ||
| 14992405 | 100049 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 559 | 20 | 0 | 6 | 8.1 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL291177 | 100049 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 559 | 20 | 0 | 6 | 8.1 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1 | 10.1021/jm00087a023 | ||
| 10252309 | 106945 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 2.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCOC2=O)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL318163 | 106945 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 0 | 6 | 2.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N2CCOC2=O)CC1 | 10.1021/jm00072a019 | ||
| 10318595 | 13158 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 396 | 7 | 0 | 4 | 4.5 | N#CC(c1cccnc1)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1191610 | 13158 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 396 | 7 | 0 | 4 | 4.5 | N#CC(c1cccnc1)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL542731 | 13158 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 396 | 7 | 0 | 4 | 4.5 | N#CC(c1cccnc1)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992403 | 172166 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 587 | 22 | 0 | 6 | 8.9 | CCCCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2ccccc2C[n+]2ccsc2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL45073 | 172166 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 587 | 22 | 0 | 6 | 8.9 | CCCCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2ccccc2C[n+]2ccsc2)c1 | 10.1021/jm00087a023 | ||
| 10072971 | 4271 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 460 | 6 | 1 | 5 | 3.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)N2CCCC2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100971 | 4271 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 460 | 6 | 1 | 5 | 3.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)N2CCCC2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10100641 | 11572 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 18 | 0 | 4 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| CHEMBL1181153 | 11572 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 18 | 0 | 4 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| CHEMBL157123 | 11572 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 18 | 0 | 4 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OC | 10.1021/jm00057a008 | ||
| 14992441 | 99751 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL288399 | 99751 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(OC)c1 | 10.1021/jm00087a023 | ||
| 14992347 | 178246 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 607 | 25 | 0 | 7 | 7.8 | CCCCC/C=C/C/C=C/CCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL46928 | 178246 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 607 | 25 | 0 | 7 | 7.8 | CCCCC/C=C/C/C=C/CCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| 14992333 | 171982 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL44846 | 171982 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| 15719162 | 100948 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 657 | 18 | 0 | 6 | 10.2 | CCCCCCCCCCCCOc1cc(C(C)(C)C)c(OP(=O)([O-])Oc2ccccc2C[n+]2csc(C)c2)cc1C(C)(C)C | 10.1021/jm00087a023 | ||
| CHEMBL297375 | 100948 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 657 | 18 | 0 | 6 | 10.2 | CCCCCCCCCCCCOc1cc(C(C)(C)C)c(OP(=O)([O-])Oc2ccccc2C[n+]2csc(C)c2)cc1C(C)(C)C | 10.1021/jm00087a023 | ||
| 44267834 | 10979 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 584 | 25 | 0 | 4 | 9.5 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1177954 | 10979 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 584 | 25 | 0 | 4 | 9.5 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL8529 | 10979 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 584 | 25 | 0 | 4 | 9.5 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10384391 | 11685 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 368 | 2 | 1 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncccc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| CHEMBL118182 | 11685 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 368 | 2 | 1 | 6 | 3.6 | Cc1nc2cnccc2n1-c1ccc(C2=Nc3ncccc3NC(=O)C2)cc1 | 10.1021/jm00018a012 | ||
| 14992485 | 178225 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 599 | 20 | 0 | 6 | 8.8 | CCCCCCCCCCCCCCc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)=O)c1 | 10.1021/jm00087a023 | ||
| CHEMBL46907 | 178225 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 599 | 20 | 0 | 6 | 8.8 | CCCCCCCCCCCCCCc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(C(C)=O)c1 | 10.1021/jm00087a023 | ||
| 14992381 | 178511 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 597 | 25 | 0 | 7 | 7.8 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2cscc2C)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL47167 | 178511 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 597 | 25 | 0 | 7 | 7.8 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2cscc2C)c1)OC | 10.1021/jm00087a023 | ||
| 10427042 | 13564 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 335 | 1 | 0 | 3 | 3.3 | Cc1nc2cnccc2n1-c1ccc(I)cc1 | 10.1021/jm00018a011 | ||
| CHEMBL119470 | 13564 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 335 | 1 | 0 | 3 | 3.3 | Cc1nc2cnccc2n1-c1ccc(I)cc1 | 10.1021/jm00018a011 | ||
| 14885628 | 118929 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 336 | 0 | 0 | 2 | 3.8 | CC(=O)N1CCC(=C2c3ccc(F)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL344942 | 118929 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 336 | 0 | 0 | 2 | 3.8 | CC(=O)N1CCC(=C2c3ccc(F)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 14992469 | 100879 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 617 | 21 | 0 | 8 | 7.9 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1C(=O)OC | 10.1021/jm00087a023 | ||
| CHEMBL296921 | 100879 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 617 | 21 | 0 | 8 | 7.9 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)c1C(=O)OC | 10.1021/jm00087a023 | ||
| 44372057 | 11606 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 612 | 25 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1CCC[N+]1(C)CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181251 | 11606 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 612 | 25 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1CCC[N+]1(C)CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL160759 | 11606 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 612 | 25 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1CCC[N+]1(C)CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 10255815 | 4595 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 0 | 6 | 4.5 | COC(=O)N(Cc1ccccc1)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| CHEMBL103171 | 4595 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 0 | 6 | 4.5 | COC(=O)N(Cc1ccccc1)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1 | 10.1021/jm00072a019 | ||
| 9981360 | 117830 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 2.7 | N#CC(c1ccncc1)N1CCN(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL340989 | 117830 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 2.7 | N#CC(c1ccncc1)N1CCN(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992329 | 172102 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 597 | 25 | 0 | 7 | 7.8 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL44995 | 172102 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 597 | 25 | 0 | 7 | 7.8 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| 10008846 | 11554 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 481 | 17 | 0 | 3 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL1181092 | 11554 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 481 | 17 | 0 | 3 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL155380 | 11554 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 481 | 17 | 0 | 3 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| 14992331 | 172980 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 597 | 25 | 0 | 7 | 7.8 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1ccc(C[n+]2csc(C)c2)cc1)OC | 10.1021/jm00087a023 | ||
| CHEMBL45321 | 172980 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 597 | 25 | 0 | 7 | 7.8 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1ccc(C[n+]2csc(C)c2)cc1)OC | 10.1021/jm00087a023 | ||
| 44267841 | 11012 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 589 | 27 | 1 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178044 | 11012 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 589 | 27 | 1 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11977 | 11012 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 589 | 27 | 1 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44268198 | 11030 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 698 | 24 | 1 | 7 | 8.9 | CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178083 | 11030 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 698 | 24 | 1 | 7 | 8.9 | CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12773 | 11030 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 698 | 24 | 1 | 7 | 8.9 | CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| 15123169 | 11619 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 9 | 0 | 5 | 2.9 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCC(C)C)C1 | 10.1021/jm00082a007 | ||
| CHEMBL1181280 | 11619 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 9 | 0 | 5 | 2.9 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCC(C)C)C1 | 10.1021/jm00082a007 | ||
| CHEMBL161674 | 11619 | 0 | None | - | 1 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 9 | 0 | 5 | 2.9 | CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(OCCC(C)C)C1 | 10.1021/jm00082a007 | ||
| 10077200 | 77774 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 593 | 31 | 0 | 6 | 8.3 | CCCCCCCCC(CCCCCCCC)CCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| CHEMBL21033 | 77774 | 0 | None | - | 1 | Guinea pig | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 593 | 31 | 0 | 6 | 8.3 | CCCCCCCCC(CCCCCCCC)CCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| 14992343 | 100871 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 587 | 25 | 0 | 9 | 5.2 | CCCCCCCCCCOCCOCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL296849 | 100871 | 0 | None | - | 1 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 587 | 25 | 0 | 9 | 5.2 | CCCCCCCCCCOCCOCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| 10250897 | 23753 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 4.0 | N#CC(c1cccnc1)N1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133742 | 23753 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 4.0 | N#CC(c1cccnc1)N1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 44350424 | 11409 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 22 | 1 | 8 | 5.8 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180478 | 11409 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 22 | 1 | 8 | 5.8 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127419 | 11409 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 22 | 1 | 8 | 5.8 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 21276953 | 4901 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 9 | 2 | 7 | 6.2 | CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)NC(C)(C)C)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL104843 | 4901 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 9 | 2 | 7 | 6.2 | CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)NC(C)(C)C)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 3075901 | 201200 | 4 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6270 | 201200 | 4 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 14785948 | 12056 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.3 | CCCCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184195 | 12056 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.3 | CCCCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL338519 | 12056 | 0 | None | - | 1 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 545 | 21 | 0 | 4 | 8.3 | CCCCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 44350248 | 11358 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.6 | CCCCCCCCCCCCCCCNOC(=O)CC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180376 | 11358 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.6 | CCCCCCCCCCCCCCCNOC(=O)CC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL124394 | 11358 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.6 | CCCCCCCCCCCCCCCNOC(=O)CC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 10384542 | 22384 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL132636 | 22384 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 | 10.1021/jm00100a018 | ||
| 6078 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00018a011 | ||
| 65923 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00018a011 | ||
| CHEMBL325439 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00018a011 | ||
| 6078 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00018a012 | ||
| 65923 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00018a012 | ||
| CHEMBL325439 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00018a012 | ||
| 14786007 | 12053 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 591 | 23 | 0 | 6 | 8.0 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(=O)OCC)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1184192 | 12053 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 591 | 23 | 0 | 6 | 8.0 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(=O)OCC)C1 | 10.1021/jm00105a058 | ||
| CHEMBL338368 | 12053 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 591 | 23 | 0 | 6 | 8.0 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(=O)OCC)C1 | 10.1021/jm00105a058 | ||
| 10345945 | 21712 | 0 | None | - | 1 | Guinea pig | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 502 | 10 | 0 | 8 | 2.7 | COc1cc(CCC(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL132028 | 21712 | 0 | None | - | 1 | Guinea pig | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 502 | 10 | 0 | 8 | 2.7 | COc1cc(CCC(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 10316662 | 4245 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 363 | 5 | 1 | 5 | 2.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(N)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100853 | 4245 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 363 | 5 | 1 | 5 | 2.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(N)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 6324617 | 188972 | 34 | None | -2 | 2 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1021/jm00060a006 | ||
| CHEMBL514432 | 188972 | 34 | None | -2 | 2 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1021/jm00060a006 | ||
| 9980372 | 164809 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 434 | 6 | 0 | 4 | 4.5 | N#Cc1cccc(C(C#N)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1021/jm00100a018 | ||
| CHEMBL423711 | 164809 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 434 | 6 | 0 | 4 | 4.5 | N#Cc1cccc(C(C#N)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1021/jm00100a018 | ||
| 10435103 | 206674 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 476 | 6 | 1 | 5 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL99794 | 206674 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 476 | 6 | 1 | 5 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm00072a019 | ||
| 11744704 | 108008 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 8 | 1 | 6 | 3.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NCc2cccnc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL319960 | 108008 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 8 | 1 | 6 | 3.4 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NCc2cccnc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 107757 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00121a012 | ||
| 1852 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00121a012 | ||
| CHEMBL1180101 | 1197 | 1 | None | -4 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1021/jm00121a012 | ||
| 10361810 | 164781 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL423524 | 164781 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1 | 10.1021/jm00100a018 | ||
| 44332558 | 4668 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 470 | 8 | 0 | 5 | 4.8 | CO/N=C(/C)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103694 | 4668 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 470 | 8 | 0 | 5 | 4.8 | CO/N=C(/C)C(c1cccnc1C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 107681 | 1196 | 24 | None | -45 | 2 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00121a012 | ||
| 6079 | 1196 | 24 | None | -45 | 2 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00121a012 | ||
| CHEMBL295212 | 1196 | 24 | None | -45 | 2 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00121a012 | ||
| 44372649 | 11557 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 600 | 27 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)CCC)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181102 | 11557 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 600 | 27 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)CCC)OC | 10.1021/jm00121a012 | ||
| CHEMBL155650 | 11557 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 600 | 27 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)CCC)OC | 10.1021/jm00121a012 | ||
| 10321839 | 4636 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 456 | 7 | 0 | 5 | 4.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103477 | 4636 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 456 | 7 | 0 | 5 | 4.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14992445 | 177901 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 607 | 21 | 0 | 9 | 6.1 | CCCCCCCCOCCOCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL46643 | 177901 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 607 | 21 | 0 | 9 | 6.1 | CCCCCCCCOCCOCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1OC | 10.1021/jm00087a023 | ||
| 44350391 | 11380 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180409 | 11380 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL125576 | 11380 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL128034 | 11380 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 590 | 22 | 1 | 7 | 6.4 | CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL317911 | 106909 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 586 | 10 | 2 | 9 | 5.8 | CCO/C(O)=C1\C(COCCn2c(C)nc3cnccc32)=NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| CHEMBL318391 | 106983 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 586 | 10 | 2 | 9 | 5.8 | CCO/C(O)=C1\C(COCCn2c(C)nc3cccnc32)=NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00542-7 | ||
| 14785973 | 11387 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180435 | 11387 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL126302 | 11387 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL126981 | 11387 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 14785956 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1180425 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL126016 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL419779 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 14785956 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL1180425 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL126016 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| CHEMBL419779 | 11384 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00105a058 | ||
| 10457336 | 4431 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 468 | 7 | 1 | 6 | 3.1 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2cccnc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL102070 | 4431 | 0 | None | - | 1 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 468 | 7 | 1 | 6 | 3.1 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2cccnc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10433272 | 106944 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 438 | 7 | 0 | 4 | 4.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL318159 | 106944 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 438 | 7 | 0 | 4 | 4.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10077575 | 95222 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 617 | 12 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL258053 | 95222 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 617 | 12 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075899 | 201073 | 4 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6203 | 201073 | 4 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 14785946 | 12270 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 517 | 19 | 0 | 4 | 7.5 | CCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1185567 | 12270 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 517 | 19 | 0 | 4 | 7.5 | CCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL421618 | 12270 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 517 | 19 | 0 | 4 | 7.5 | CCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14786015 | 12267 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 547 | 24 | 1 | 4 | 7.9 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1185534 | 12267 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 547 | 24 | 1 | 4 | 7.9 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL419786 | 12267 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 547 | 24 | 1 | 4 | 7.9 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| 14885630 | 33553 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 0 | 0 | 2 | 4.4 | CC(=O)N1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL142268 | 33553 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 0 | 0 | 2 | 4.4 | CC(=O)N1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 44290499 | 170258 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 601 | 21 | 0 | 6 | 9.0 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(CC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL445355 | 170258 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 601 | 21 | 0 | 6 | 9.0 | CCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(CC)c1 | 10.1021/jm00087a023 | ||
| 10098082 | 162773 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 517 | 8 | 0 | 6 | 3.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CN(C(c2ccccc2)c2ccccc2)S(C)(=O)=O)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL418989 | 162773 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 517 | 8 | 0 | 6 | 3.2 | Cc1ncccc1C(C#N)N1CCN(C(=O)CN(C(c2ccccc2)c2ccccc2)S(C)(=O)=O)CC1 | 10.1021/jm00072a019 | ||
| 14885629 | 34754 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 336 | 0 | 0 | 2 | 3.8 | CC(=O)N1CCC(=C2c3cc(F)ccc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL143272 | 34754 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 336 | 0 | 0 | 2 | 3.8 | CC(=O)N1CCC(=C2c3cc(F)ccc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 10344611 | 4244 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 469 | 7 | 1 | 7 | 2.5 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2cnccn2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100851 | 4244 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 469 | 7 | 1 | 7 | 2.5 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2cnccn2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 44372028 | 11581 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 544 | 25 | 1 | 5 | 6.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C)CC[N+](C)(C)C)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181181 | 11581 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 544 | 25 | 1 | 5 | 6.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C)CC[N+](C)(C)C)OC | 10.1021/jm00121a012 | ||
| CHEMBL158268 | 11581 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 544 | 25 | 1 | 5 | 6.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C)CC[N+](C)(C)C)OC | 10.1021/jm00121a012 | ||
| 14786029 | 11382 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 440 | 22 | 0 | 2 | 7.8 | CCCCCCCCCCCCCCC1COC(COCCCCCC[N+](C)(C)C)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180413 | 11382 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 440 | 22 | 0 | 2 | 7.8 | CCCCCCCCCCCCCCC1COC(COCCCCCC[N+](C)(C)C)C1 | 10.1021/jm00105a058 | ||
| CHEMBL125680 | 11382 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 440 | 22 | 0 | 2 | 7.8 | CCCCCCCCCCCCCCC1COC(COCCCCCC[N+](C)(C)C)C1 | 10.1021/jm00105a058 | ||
| 14785984 | 12075 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1184230 | 12075 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL340247 | 12075 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 563 | 22 | 0 | 6 | 6.7 | CCCCCCCCCCCCCCCCOCC1OCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14785881 | 11370 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 480 | 23 | 0 | 3 | 8.5 | CCCCCCCCCCCCCCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180392 | 11370 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 480 | 23 | 0 | 3 | 8.5 | CCCCCCCCCCCCCCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL125078 | 11370 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 480 | 23 | 0 | 3 | 8.5 | CCCCCCCCCCCCCCC1COC(COCCCCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 9826514 | 11574 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 481 | 19 | 0 | 2 | 7.6 | CCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2CC)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL1181156 | 11574 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 481 | 19 | 0 | 2 | 7.6 | CCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2CC)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL157330 | 11574 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 481 | 19 | 0 | 2 | 7.6 | CCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2CC)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| 44268136 | 11027 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 726 | 26 | 1 | 7 | 9.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178074 | 11027 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 726 | 26 | 1 | 7 | 9.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12556 | 11027 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 726 | 26 | 1 | 7 | 9.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| 54582516 | 62845 | 1 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1788193 | 62845 | 1 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1789869 | 62845 | 1 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 12239330 | 109840 | 2 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.7 | Cc1nc2cnccc2n1-c1ccccc1 | 10.1021/jm00018a011 | ||
| CHEMBL323940 | 109840 | 2 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.7 | Cc1nc2cnccc2n1-c1ccccc1 | 10.1021/jm00018a011 | ||
| 44372031 | 11575 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 515 | 25 | 1 | 5 | 6.6 | CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCC[N+](C)(C)C)OC(C)=O | 10.1021/jm00121a012 | ||
| CHEMBL1181162 | 11575 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 515 | 25 | 1 | 5 | 6.6 | CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCC[N+](C)(C)C)OC(C)=O | 10.1021/jm00121a012 | ||
| CHEMBL157596 | 11575 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 515 | 25 | 1 | 5 | 6.6 | CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCC[N+](C)(C)C)OC(C)=O | 10.1021/jm00121a012 | ||
| 14785971 | 11401 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 533 | 20 | 0 | 5 | 6.6 | CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180463 | 11401 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 533 | 20 | 0 | 5 | 6.6 | CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| CHEMBL127010 | 11401 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 533 | 20 | 0 | 5 | 6.6 | CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1021/jm00105a058 | ||
| 44371931 | 12110 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 586 | 26 | 1 | 6 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CCC[N+](C)(C)C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1184365 | 12110 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 586 | 26 | 1 | 6 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CCC[N+](C)(C)C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL346367 | 12110 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 586 | 26 | 1 | 6 | 7.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CCC[N+](C)(C)C)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 10366659 | 13536 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CNCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1194514 | 13536 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CNCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL552805 | 13536 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 3.6 | N#CC(c1cccnc1)N1CCN(C(=O)CNCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10095446 | 4654 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC(C)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL103561 | 4654 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CNC(C)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10252596 | 4419 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 438 | 7 | 1 | 4 | 3.6 | C#CC(c1cccnc1C)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL101957 | 4419 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 438 | 7 | 1 | 4 | 3.6 | C#CC(c1cccnc1C)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14786023 | 11363 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1180383 | 11363 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL124562 | 11363 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.4 | CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2cc[n+](CC)cc2)C1 | 10.1021/jm00105a058 | ||
| 44372256 | 12106 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 628 | 25 | 1 | 6 | 7.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)N1CCCC1)OC | 10.1021/jm00121a012 | ||
| CHEMBL1184338 | 12106 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 628 | 25 | 1 | 6 | 7.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)N1CCCC1)OC | 10.1021/jm00121a012 | ||
| CHEMBL345213 | 12106 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 628 | 25 | 1 | 6 | 7.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+](C)(C)C)C(=O)N1CCCC1)OC | 10.1021/jm00121a012 | ||
| 14966971 | 13466 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 385 | 6 | 1 | 3 | 4.7 | O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Nc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1194036 | 13466 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 385 | 6 | 1 | 3 | 4.7 | O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Nc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL3216628 | 13466 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 385 | 6 | 1 | 3 | 4.7 | O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Nc2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 10343902 | 107076 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 7 | 0 | 6 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CON=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL318908 | 107076 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 7 | 0 | 6 | 3.6 | Cc1ncccc1C(C#N)N1CCN(C(=O)CON=C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 14885633 | 120992 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 334 | 0 | 1 | 3 | 3.3 | CC(=O)N1CCC(=C2c3ccc(O)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| CHEMBL358332 | 120992 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 334 | 0 | 1 | 3 | 3.3 | CC(=O)N1CCC(=C2c3ccc(O)cc3CCc3cccnc32)CC1 | 10.1021/jm00105a069 | ||
| 14992473 | 100747 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(C)=O | 10.1021/jm00087a023 | ||
| CHEMBL295916 | 100747 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 615 | 21 | 0 | 7 | 8.6 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1C(C)=O | 10.1021/jm00087a023 | ||
| 3075899 | 201073 | 4 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6203 | 201073 | 4 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 44372033 | 11580 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 557 | 25 | 0 | 6 | 6.9 | CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC(C)=O | 10.1021/jm00121a012 | ||
| CHEMBL1181179 | 11580 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 557 | 25 | 0 | 6 | 6.9 | CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC(C)=O | 10.1021/jm00121a012 | ||
| CHEMBL158254 | 11580 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 557 | 25 | 0 | 6 | 6.9 | CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC(C)=O | 10.1021/jm00121a012 | ||
| 10410156 | 109058 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL322184 | 109058 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL545771 | 109058 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 10389222 | 4192 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 4.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NCc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL100497 | 4192 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 4.0 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NCc2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10344522 | 4560 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 467 | 7 | 1 | 5 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL102918 | 4560 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 467 | 7 | 1 | 5 | 3.7 | Cc1ncccc1C(C#N)N1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 10410156 | 109058 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL322184 | 109058 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| CHEMBL545771 | 109058 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 3.2 | N#CC(c1cccnc1)N1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00072a019 | ||
| 15123171 | 12132 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.3 | CCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL1184477 | 12132 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.3 | CCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| CHEMBL351410 | 12132 | 0 | None | - | 1 | Guinea pig | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 547 | 21 | 0 | 5 | 7.3 | CCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1021/jm00082a007 | ||
| 14992453 | 178060 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 657 | 18 | 0 | 6 | 10.2 | CCCCCCCCCCCCOc1cc(C(C)(C)C)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1C(C)(C)C | 10.1021/jm00087a023 | ||
| CHEMBL46754 | 178060 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 657 | 18 | 0 | 6 | 10.2 | CCCCCCCCCCCCOc1cc(C(C)(C)C)c(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1C(C)(C)C | 10.1021/jm00087a023 | ||
| 10482349 | 67421 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 537 | 27 | 0 | 7 | 5.7 | CCCCCCCCCCCC(=O)CCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| CHEMBL1907928 | 67421 | 0 | None | - | 1 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 537 | 27 | 0 | 7 | 5.7 | CCCCCCCCCCCC(=O)CCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC | 10.1021/jm00007a018 | ||
| 44290227 | 100911 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2ccccc2C[n+]2csc(C)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL297147 | 100911 | 0 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 603 | 21 | 0 | 7 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2ccccc2C[n+]2csc(C)c2)c1OC | 10.1021/jm00087a023 | ||
| 10096569 | 23538 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 477 | 6 | 0 | 3 | 5.6 | N#CC(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL133555 | 23538 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 477 | 6 | 0 | 3 | 5.6 | N#CC(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm00100a018 | ||
| 14992353 | 176775 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 675 | 27 | 0 | 8 | 8.9 | CCCCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL46375 | 176775 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 675 | 27 | 0 | 8 | 8.9 | CCCCCCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)OC)c1 | 10.1021/jm00087a023 | ||
| 14992517 | 100937 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 583 | 21 | 0 | 6 | 8.0 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccccc3)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL297298 | 100937 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 583 | 21 | 0 | 6 | 8.0 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3ccccc3)c2)c1OC | 10.1021/jm00087a023 | ||
| 1859 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00100a018 | ||
| 1860 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00100a018 | ||
| 65889 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00100a018 | ||
| CHEMBL280164 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00100a018 | ||
| 1859 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00072a019 | ||
| 1860 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00072a019 | ||
| 65889 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00072a019 | ||
| CHEMBL280164 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00072a019 | ||
| 54050884 | 77946 | 1 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL2093039 | 77946 | 1 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL2110057 | 77946 | 1 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14992335 | 100653 | 0 | None | - | 1 | Guinea pig | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2ccc(C[n+]3ccsc3)cc2)OC)c1 | 10.1021/jm00087a023 | ||
| CHEMBL295205 | 100653 | 0 | None | - | 1 | Guinea pig | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 631 | 24 | 0 | 7 | 8.3 | CCCCCCCCCCCCCCc1cccc(OCC(COP(=O)([O-])Oc2ccc(C[n+]3ccsc3)cc2)OC)c1 | 10.1021/jm00087a023 | ||
| 19829172 | 11560 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 612 | 25 | 1 | 7 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1csc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181108 | 11560 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 612 | 25 | 1 | 7 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1csc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL155821 | 11560 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 612 | 25 | 1 | 7 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1csc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 9996625 | 13533 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 328 | 8 | 0 | 4 | 3.2 | CCCCCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL1194494 | 13533 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 328 | 8 | 0 | 4 | 3.2 | CCCCCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| CHEMBL552771 | 13533 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 328 | 8 | 0 | 4 | 3.2 | CCCCCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1 | 10.1021/jm00100a018 | ||
| 14992323 | 178299 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 654 | 27 | 1 | 8 | 8.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL46976 | 178299 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 654 | 27 | 1 | 8 | 8.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC | 10.1021/jm00087a023 | ||
| 44372274 | 11565 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 614 | 25 | 1 | 7 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCOCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181126 | 11565 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 614 | 25 | 1 | 7 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCOCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL156510 | 11565 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 614 | 25 | 1 | 7 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC[N+]1(C)CCOCC1)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14785895 | 11821 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 566 | 27 | 0 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL1182717 | 11821 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 566 | 27 | 0 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| CHEMBL262465 | 11821 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 566 | 27 | 0 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)CCCCC[n+]2ccsc2)C1 | 10.1021/jm00105a058 | ||
| 44267808 | 11860 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 590 | 22 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1182959 | 11860 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 590 | 22 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL274110 | 11860 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 590 | 22 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 14992393 | 100711 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 580 | 25 | 0 | 7 | 6.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccn(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| CHEMBL295639 | 100711 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 580 | 25 | 0 | 7 | 6.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccn(C)c2)c1)OC | 10.1021/jm00087a023 | ||
| 44371925 | 11608 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 620 | 26 | 1 | 6 | 7.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181259 | 11608 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 620 | 26 | 1 | 6 | 7.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL160888 | 11608 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 620 | 26 | 1 | 6 | 7.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 14785999 | 11419 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 591 | 24 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180491 | 11419 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 591 | 24 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL127887 | 11419 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 591 | 24 | 0 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 120984 | 201150 | 23 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 474 | 8 | 0 | 8 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| CHEMBL6244 | 201150 | 23 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 474 | 8 | 0 | 8 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | 10.1021/jm00100a018 | ||
| 44268145 | 11029 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178081 | 11029 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12708 | 11029 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 21463428 | 11020 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 637 | 26 | 1 | 4 | 10.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178060 | 11020 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 637 | 26 | 1 | 4 | 10.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12368 | 11020 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 637 | 26 | 1 | 4 | 10.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 9851823 | 11545 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 481 | 17 | 0 | 3 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL1181058 | 11545 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 481 | 17 | 0 | 3 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| CHEMBL154205 | 11545 | 0 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 481 | 17 | 0 | 3 | 6.8 | CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1 | 10.1021/jm00057a008 | ||
| 14992511 | 96240 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 617 | 21 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3C)c2)c1OC | 10.1021/jm00087a023 | ||
| CHEMBL263933 | 96240 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 617 | 21 | 0 | 7 | 8.7 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3C)c2)c1OC | 10.1021/jm00087a023 | ||
| 19829201 | 11569 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 612 | 25 | 1 | 7 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1scc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL1181146 | 11569 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 612 | 25 | 1 | 7 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1scc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| CHEMBL156972 | 11569 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 612 | 25 | 1 | 7 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1scc[n+]1CC)C(C)=O)OC | 10.1021/jm00121a012 | ||
| 10414574 | 11204 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 400 | 13 | 0 | 4 | 5.0 | CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179271 | 11204 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 400 | 13 | 0 | 4 | 5.0 | CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67232 | 11204 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 400 | 13 | 0 | 4 | 5.0 | CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14992413 | 100763 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 601 | 22 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1 | 10.1021/jm00087a023 | ||
| CHEMBL296072 | 100763 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 601 | 22 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOc1ccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)cc1 | 10.1021/jm00087a023 | ||
| 44268122 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178068 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12439 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12882 | 11024 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 14785950 | 11371 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCOCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL1180393 | 11371 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCOCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| CHEMBL125080 | 11371 | 0 | None | - | 1 | Guinea pig | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 561 | 22 | 0 | 5 | 7.5 | CCCCCCCCCCCCCCCCOCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1021/jm00105a058 | ||
| 14992467 | 171651 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 641 | 20 | 0 | 6 | 9.7 | CCCCCCCCCCCCCCOc1cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(Cl)cc1Cl | 10.1021/jm00087a023 | ||
| CHEMBL44740 | 171651 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 641 | 20 | 0 | 6 | 9.7 | CCCCCCCCCCCCCCOc1cc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c(Cl)cc1Cl | 10.1021/jm00087a023 | ||
| 14992407 | 182933 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 573 | 20 | 0 | 6 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1 | 10.1021/jm00087a023 | ||
| CHEMBL47998 | 182933 | 0 | None | - | 1 | Guinea pig | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 573 | 20 | 0 | 6 | 8.4 | CCCCCCCCCCCCCCOc1cccc(OP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)c1 | 10.1021/jm00087a023 | ||
| 10344174 | 201296 | 0 | None | - | 0 | Guinea pig | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 458 | 3 | 1 | 6 | 3.9 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Br)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL63100 | 201296 | 0 | None | - | 0 | Guinea pig | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 458 | 3 | 1 | 6 | 3.9 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Br)cc21 | 10.1021/jm00039a015 | ||
| 10324525 | 206559 | 0 | None | - | 0 | Guinea pig | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 524 | 6 | 0 | 6 | 5.8 | CN(C)C(=O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99053 | 206559 | 0 | None | - | 0 | Guinea pig | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 524 | 6 | 0 | 6 | 5.8 | CN(C)C(=O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 9999825 | 201430 | 0 | None | - | 0 | Guinea pig | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 380 | 3 | 1 | 6 | 3.2 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64057 | 201430 | 0 | None | - | 0 | Guinea pig | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 380 | 3 | 1 | 6 | 3.2 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10005564 | 193174 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 4.4 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(C(=O)c3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL539673 | 193174 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 4.4 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(C(=O)c3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 10070431 | 200969 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 414 | 3 | 1 | 6 | 3.8 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Cl)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL61416 | 200969 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 414 | 3 | 1 | 6 | 3.8 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Cl)cc21 | 10.1021/jm00039a015 | ||
| 10476623 | 201472 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 409 | 3 | 1 | 7 | 4.4 | CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64214 | 201472 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 409 | 3 | 1 | 7 | 4.4 | CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 11756259 | 201591 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 515 | 6 | 1 | 8 | 6.0 | CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL64691 | 201591 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9 | Functional | ChEMBL | 515 | 6 | 1 | 8 | 6.0 | CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 10047478 | 11162 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL1179099 | 11162 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL60081 | 11162 | 0 | None | - | 0 | Guinea pig | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10092094 | 201528 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 395 | 6 | 1 | 7 | 3.2 | CCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64428 | 201528 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 395 | 6 | 1 | 7 | 3.2 | CCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10480304 | 102338 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 480 | 3 | 1 | 6 | 4.6 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(C#Cc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL305372 | 102338 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 480 | 3 | 1 | 6 | 4.6 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(C#Cc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 10345318 | 11925 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 4.7 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL1183374 | 11925 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 4.7 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL293662 | 11925 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 4.7 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 10070036 | 100449 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 408 | 5 | 1 | 6 | 3.9 | CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL293906 | 100449 | 0 | None | - | 0 | Guinea pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 408 | 5 | 1 | 6 | 3.9 | CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10477335 | 201538 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 422 | 3 | 1 | 7 | 2.9 | O=C(c1cn(C(=O)N2CCOCC2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64464 | 201538 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 422 | 3 | 1 | 7 | 2.9 | O=C(c1cn(C(=O)N2CCOCC2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10254533 | 168533 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 479 | 8 | 2 | 8 | 3.7 | COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC | 10.1021/jm00039a015 | ||
| CHEMBL439937 | 168533 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 479 | 8 | 2 | 8 | 3.7 | COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC | 10.1021/jm00039a015 | ||
| 10251285 | 201159 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL62497 | 201159 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10048500 | 201235 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 433 | 6 | 2 | 5 | 4.9 | O=C(c1c[nH]c2cc(OCc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL62830 | 201235 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 433 | 6 | 2 | 5 | 4.9 | O=C(c1c[nH]c2cc(OCc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 23986866 | 206631 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 526 | 5 | 0 | 7 | 6.3 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Oc3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99528 | 206631 | 0 | None | - | 0 | Guinea pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 526 | 5 | 0 | 7 | 6.3 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Oc3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10255558 | 100076 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 4.9 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL291372 | 100076 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 4.9 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21 | 10.1021/jm00039a015 | ||
| 10475985 | 201342 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 398 | 3 | 1 | 6 | 3.3 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(F)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL63383 | 201342 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 398 | 3 | 1 | 6 | 3.3 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(F)cc21 | 10.1021/jm00039a015 | ||
| 10454763 | 201579 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 419 | 5 | 2 | 5 | 5.1 | O=C(c1c[nH]c2cc(Oc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64636 | 201579 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 419 | 5 | 2 | 5 | 5.1 | O=C(c1c[nH]c2cc(Oc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10433379 | 100405 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8 | Functional | ChEMBL | 440 | 5 | 1 | 8 | 3.2 | COc1cc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC | 10.1021/jm00039a015 | ||
| CHEMBL293641 | 100405 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8 | Functional | ChEMBL | 440 | 5 | 1 | 8 | 3.2 | COc1cc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC | 10.1021/jm00039a015 | ||
| 10052663 | 102291 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8 | Functional | ChEMBL | 528 | 6 | 1 | 8 | 4.5 | O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL305145 | 102291 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8 | Functional | ChEMBL | 528 | 6 | 1 | 8 | 4.5 | O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 15292722 | 206529 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8 | Functional | ChEMBL | 496 | 4 | 1 | 6 | 5.9 | CNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98874 | 206529 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8 | Functional | ChEMBL | 496 | 4 | 1 | 6 | 5.9 | CNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 15292724 | 106831 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 493 | 4 | 0 | 7 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3cccnc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL317357 | 106831 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 493 | 4 | 0 | 7 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3cccnc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 15292704 | 206701 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 445 | 3 | 0 | 7 | 5.6 | CC(C)(C)OC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99976 | 206701 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 445 | 3 | 0 | 7 | 5.6 | CC(C)(C)OC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21 | 10.1016/0960-894X(95)00509-R | ||
| 9998987 | 11173 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 366 | 3 | 2 | 6 | 2.8 | CNC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL1179147 | 11173 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 366 | 3 | 2 | 6 | 2.8 | CNC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL62308 | 11173 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 366 | 3 | 2 | 6 | 2.8 | CNC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10431597 | 11921 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 408 | 3 | 1 | 6 | 3.8 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N(C)C | 10.1021/jm00039a015 | ||
| CHEMBL1183360 | 11921 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 408 | 3 | 1 | 6 | 3.8 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N(C)C | 10.1021/jm00039a015 | ||
| CHEMBL292508 | 11921 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 408 | 3 | 1 | 6 | 3.8 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N(C)C | 10.1021/jm00039a015 | ||
| 15292731 | 206662 | 0 | None | - | 0 | Guinea pig | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 522 | 6 | 0 | 7 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2cc(OCc3ccccc3)ccc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99721 | 206662 | 0 | None | - | 0 | Guinea pig | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 522 | 6 | 0 | 7 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2cc(OCc3ccccc3)ccc21 | 10.1016/0960-894X(95)00509-R | ||
| 10001907 | 201565 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64587 | 201565 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 44330289 | 106803 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 506 | 5 | 0 | 6 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Cc3ccccc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL317116 | 106803 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 506 | 5 | 0 | 6 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Cc3ccccc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 131925 | 101302 | 12 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm00039a015 | ||
| CHEMBL299944 | 101302 | 12 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm00039a015 | ||
| 10413137 | 201605 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 4.7 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2cccc(OCc3ccccc3)c21 | 10.1021/jm00039a015 | ||
| CHEMBL64745 | 201605 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 486 | 6 | 1 | 7 | 4.7 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2cccc(OCc3ccccc3)c21 | 10.1021/jm00039a015 | ||
| 10475183 | 100568 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 385 | 4 | 2 | 4 | 4.8 | O=C(c1c[nH]c2cc(-c3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL294589 | 100568 | 0 | None | - | 0 | Guinea pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 385 | 4 | 2 | 4 | 4.8 | O=C(c1c[nH]c2cc(-c3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 14941102 | 13530 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 | 10.1021/jm00039a015 | ||
| CHEMBL1194456 | 13530 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 | 10.1021/jm00039a015 | ||
| CHEMBL552673 | 13530 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 | 10.1021/jm00039a015 | ||
| 10431642 | 102141 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 409 | 3 | 2 | 4 | 4.5 | O=C(c1c[nH]c2cc(C#Cc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL304190 | 102141 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 409 | 3 | 2 | 4 | 4.5 | O=C(c1c[nH]c2cc(C#Cc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 15292767 | 206667 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 494 | 3 | 0 | 6 | 5.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Br)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99754 | 206667 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 494 | 3 | 0 | 6 | 5.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Br)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10025662 | 201609 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 429 | 6 | 2 | 5 | 5.0 | Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64764 | 201609 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 429 | 6 | 2 | 5 | 5.0 | Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 44304077 | 167267 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 453 | 2 | 0 | 6 | 4.3 | Cc1nnc2n1C1=C(C(c3ccccc3Cl)=NC2C)C2CCN(C(=O)C3CC3)CC2S1 | 10.1021/jm00039a015 | ||
| CHEMBL430748 | 167267 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 453 | 2 | 0 | 6 | 4.3 | Cc1nnc2n1C1=C(C(c3ccccc3Cl)=NC2C)C2CCN(C(=O)C3CC3)CC2S1 | 10.1021/jm00039a015 | ||
| 19379103 | 206693 | 0 | None | - | 0 | Guinea pig | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 511 | 7 | 1 | 6 | 6.1 | O=C(O)CCn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99920 | 206693 | 0 | None | - | 0 | Guinea pig | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 511 | 7 | 1 | 6 | 6.1 | O=C(O)CCn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10453930 | 79299 | 0 | None | - | 0 | Guinea pig | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1C(=O)C(F)(F)F | 10.1021/jm00039a015 | ||
| CHEMBL2115490 | 79299 | 0 | None | - | 0 | Guinea pig | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1C(=O)C(F)(F)F | 10.1021/jm00039a015 | ||
| 44330263 | 206526 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 542 | 5 | 0 | 7 | 6.7 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Sc3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98844 | 206526 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 542 | 5 | 0 | 7 | 6.7 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Sc3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 15292703 | 206612 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 522 | 6 | 0 | 7 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(OCc3ccccc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99413 | 206612 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 522 | 6 | 0 | 7 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(OCc3ccccc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 15292732 | 4124 | 0 | None | - | 0 | Guinea pig | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 522 | 6 | 0 | 7 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2cccc(OCc3ccccc3)c21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL100145 | 4124 | 0 | None | - | 0 | Guinea pig | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 522 | 6 | 0 | 7 | 6.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2cccc(OCc3ccccc3)c21 | 10.1016/0960-894X(95)00509-R | ||
| 11725506 | 100273 | 0 | None | - | 0 | Guinea pig | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 351 | 3 | 1 | 4 | 3.4 | CC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 | 10.1021/jm00039a015 | ||
| CHEMBL292734 | 100273 | 0 | None | - | 0 | Guinea pig | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 351 | 3 | 1 | 4 | 3.4 | CC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 | 10.1021/jm00039a015 | ||
| 10001117 | 201057 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 401 | 5 | 1 | 7 | 2.8 | CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL61937 | 201057 | 0 | None | - | 0 | Guinea pig | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 401 | 5 | 1 | 7 | 2.8 | CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 15292702 | 111876 | 0 | None | - | 0 | Guinea pig | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 451 | 6 | 1 | 5 | 6.0 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2ccc(OCc3ccccc3)cc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL329508 | 111876 | 0 | None | - | 0 | Guinea pig | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 451 | 6 | 1 | 5 | 6.0 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2ccc(OCc3ccccc3)cc12 | 10.1016/0960-894X(95)00509-R | ||
| 44330351 | 4128 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 510 | 5 | 1 | 6 | 6.2 | CCNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL100150 | 4128 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 510 | 5 | 1 | 6 | 6.2 | CCNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10338961 | 162464 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 367 | 3 | 1 | 7 | 3.2 | COC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL417563 | 162464 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 367 | 3 | 1 | 7 | 3.2 | COC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10480729 | 100383 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 5 | 1 | 7 | 5.1 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Oc3ccc(F)cc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL293457 | 100383 | 0 | None | - | 0 | Guinea pig | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 5 | 1 | 7 | 5.1 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(Oc3ccc(F)cc3)cc21 | 10.1021/jm00039a015 | ||
| 10339741 | 100352 | 0 | None | - | 0 | Guinea pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 380 | 5 | 2 | 6 | 2.4 | CNC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL293259 | 100352 | 0 | None | - | 0 | Guinea pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 380 | 5 | 2 | 6 | 2.4 | CNC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10093781 | 100295 | 0 | None | - | 0 | Guinea pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 423 | 3 | 1 | 7 | 4.7 | Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL292860 | 100295 | 0 | None | - | 0 | Guinea pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 423 | 3 | 1 | 7 | 4.7 | Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 | 10.1021/jm00039a015 | ||
| 10340397 | 200963 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 391 | 4 | 1 | 5 | 4.2 | O=C(c1cn(CC(F)(F)F)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL61384 | 200963 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 391 | 4 | 1 | 5 | 4.2 | O=C(c1cn(CC(F)(F)F)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10313907 | 201537 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 319 | 3 | 2 | 4 | 3.1 | O=C(Nc1cccc(Cl)c1)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64462 | 201537 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 319 | 3 | 2 | 4 | 3.1 | O=C(Nc1cccc(Cl)c1)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10403930 | 201461 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 323 | 3 | 2 | 4 | 3.5 | Cc1[nH]c2ccccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64180 | 201461 | 0 | None | - | 0 | Guinea pig | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 323 | 3 | 2 | 4 | 3.5 | Cc1[nH]c2ccccc2c1C(=O)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10088444 | 170053 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 337 | 4 | 1 | 4 | 3.0 | O=CN1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 | 10.1021/jm00039a015 | ||
| CHEMBL445097 | 170053 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 337 | 4 | 1 | 4 | 3.0 | O=CN1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 | 10.1021/jm00039a015 | ||
| 10245768 | 201117 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 325 | 3 | 3 | 5 | 2.9 | O=C(c1c[nH]c2cc(O)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL62284 | 201117 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 325 | 3 | 3 | 5 | 2.9 | O=C(c1c[nH]c2cc(O)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 19379101 | 206528 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 4.2 | O=C(c1ccn2c1CSC2c1cccnc1)c1cn(C(=O)N2CCOCC2)c2ccccc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98853 | 206528 | 0 | None | - | 0 | Guinea pig | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 4.2 | O=C(c1ccn2c1CSC2c1cccnc1)c1cn(C(=O)N2CCOCC2)c2ccccc12 | 10.1016/0960-894X(95)00509-R | ||
| 15292734 | 111002 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 4 | 0 | 6 | 6.1 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccccc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL327732 | 111002 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 492 | 4 | 0 | 6 | 6.1 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccccc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 44304217 | 13668 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 343 | 2 | 1 | 5 | 3.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL1195426 | 13668 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 343 | 2 | 1 | 5 | 3.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL554536 | 13668 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 343 | 2 | 1 | 5 | 3.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21 | 10.1021/jm00039a015 | ||
| 9999890 | 201208 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 381 | 6 | 2 | 6 | 3.1 | O=C(O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL62725 | 201208 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 381 | 6 | 2 | 6 | 3.1 | O=C(O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 19379096 | 163444 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 497 | 4 | 2 | 7 | 5.1 | NNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL420826 | 163444 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 497 | 4 | 2 | 7 | 5.1 | NNC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 9979249 | 201500 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64285 | 201500 | 0 | None | - | 0 | Guinea pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.7 | O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 146417 | 3325 | 7 | None | - | 0 | Guinea pig | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 10.1021/jm00039a015 | ||
| 1839 | 3325 | 7 | None | - | 0 | Guinea pig | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 10.1021/jm00039a015 | ||
| 1858 | 3325 | 7 | None | - | 0 | Guinea pig | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 10.1021/jm00039a015 | ||
| CHEMBL64716 | 3325 | 7 | None | - | 0 | Guinea pig | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 10.1021/jm00039a015 | ||
| 6078 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00039a015 | ||
| 65923 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00039a015 | ||
| CHEMBL325439 | 593 | 17 | None | 29 | 2 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 10.1021/jm00039a015 | ||
| 10316889 | 13733 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 367 | 5 | 2 | 6 | 2.7 | O=C(O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL1195901 | 13733 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 367 | 5 | 2 | 6 | 2.7 | O=C(O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL555553 | 13733 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 367 | 5 | 2 | 6 | 2.7 | O=C(O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10252852 | 11185 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 443 | 5 | 1 | 7 | 4.8 | O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL1179208 | 11185 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 443 | 5 | 1 | 7 | 4.8 | O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64860 | 11185 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 443 | 5 | 1 | 7 | 4.8 | O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10004106 | 199525 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 454 | 7 | 1 | 8 | 3.2 | COCCOc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL60359 | 199525 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 454 | 7 | 1 | 8 | 3.2 | COCCOc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2c1 | 10.1021/jm00039a015 | ||
| 9972620 | 11948 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 3.1 | O=C(c1c[nH]c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL1183526 | 11948 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 3.1 | O=C(c1c[nH]c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL302696 | 11948 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 309 | 3 | 2 | 4 | 3.1 | O=C(c1c[nH]c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10019097 | 201231 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 323 | 3 | 2 | 4 | 3.5 | Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL62815 | 201231 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 323 | 3 | 2 | 4 | 3.5 | Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1 | 10.1021/jm00039a015 | ||
| 10478813 | 201426 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 447 | 4 | 1 | 6 | 5.0 | O=C(c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL64035 | 201426 | 0 | None | - | 0 | Guinea pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 447 | 4 | 1 | 6 | 5.0 | O=C(c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10411754 | 201572 | 0 | None | - | 0 | Guinea pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 456 | 4 | 1 | 6 | 4.8 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL64621 | 201572 | 0 | None | - | 0 | Guinea pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 456 | 4 | 1 | 6 | 4.8 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 15759421 | 206517 | 2 | None | - | 0 | Guinea pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 510 | 4 | 0 | 6 | 6.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98813 | 206517 | 2 | None | - | 0 | Guinea pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 510 | 4 | 0 | 6 | 6.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 44304424 | 13486 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 2 | 1 | 5 | 3.1 | O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL1194159 | 13486 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 2 | 1 | 5 | 3.1 | O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL545684 | 13486 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 309 | 2 | 1 | 5 | 3.1 | O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21 | 10.1021/jm00039a015 | ||
| 11744076 | 201166 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 442 | 4 | 1 | 6 | 4.7 | CN(C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21)c1ccccc1 | 10.1021/jm00039a015 | ||
| CHEMBL62530 | 201166 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 442 | 4 | 1 | 6 | 4.7 | CN(C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21)c1ccccc1 | 10.1021/jm00039a015 | ||
| 10364545 | 201469 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 3.2 | CC(C)S(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64209 | 201469 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 3.2 | CC(C)S(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 65927 | 201533 | 19 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1 | 10.1021/jm00039a015 | ||
| CHEMBL64449 | 201533 | 19 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1 | 10.1021/jm00039a015 | ||
| 44304426 | 12886 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 343 | 2 | 1 | 5 | 3.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2c(Cl)cccc21 | 10.1021/jm00039a015 | ||
| CHEMBL1189671 | 12886 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 343 | 2 | 1 | 5 | 3.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2c(Cl)cccc21 | 10.1021/jm00039a015 | ||
| CHEMBL539263 | 12886 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 343 | 2 | 1 | 5 | 3.7 | O=C(C1CSC(c2cccnc2)N1)n1ccc2c(Cl)cccc21 | 10.1021/jm00039a015 | ||
| 44330265 | 206551 | 0 | None | - | 0 | Guinea pig | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 361 | 3 | 2 | 5 | 4.1 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cccc(O)c12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98999 | 206551 | 0 | None | - | 0 | Guinea pig | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 361 | 3 | 2 | 5 | 4.1 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cccc(O)c12 | 10.1016/0960-894X(95)00509-R | ||
| 10246465 | 201585 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 337 | 3 | 2 | 4 | 3.8 | Cc1ccc2[nH]c(C)c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL64669 | 201585 | 0 | None | - | 0 | Guinea pig | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 337 | 3 | 2 | 4 | 3.8 | Cc1ccc2[nH]c(C)c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1 | 10.1021/jm00039a015 | ||
| 10366513 | 100246 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 450 | 3 | 1 | 7 | 3.5 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N1CCOCC1 | 10.1021/jm00039a015 | ||
| CHEMBL292550 | 100246 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 450 | 3 | 1 | 7 | 3.5 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)N1CCOCC1 | 10.1021/jm00039a015 | ||
| 10024932 | 101741 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 6 | 4.1 | O=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL302900 | 101741 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 6 | 4.1 | O=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 15292764 | 107428 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 482 | 6 | 1 | 6 | 5.6 | NCCn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL319325 | 107428 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 482 | 6 | 1 | 6 | 5.6 | NCCn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10476962 | 11183 | 0 | None | - | 0 | Guinea pig | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2cccc(OCc3ccccc3)c21 | 10.1021/jm00039a015 | ||
| CHEMBL1179198 | 11183 | 0 | None | - | 0 | Guinea pig | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2cccc(OCc3ccccc3)c21 | 10.1021/jm00039a015 | ||
| CHEMBL64493 | 11183 | 0 | None | - | 0 | Guinea pig | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2cccc(OCc3ccccc3)c21 | 10.1021/jm00039a015 | ||
| 10339808 | 201260 | 0 | None | - | 0 | Guinea pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 381 | 4 | 1 | 7 | 3.6 | CCOC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL62942 | 201260 | 0 | None | - | 0 | Guinea pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 381 | 4 | 1 | 7 | 3.6 | CCOC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10092095 | 201531 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 395 | 6 | 1 | 7 | 3.2 | COC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64445 | 201531 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 395 | 6 | 1 | 7 | 3.2 | COC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10004279 | 201056 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 4.2 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3cccnc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL61936 | 201056 | 0 | None | - | 0 | Guinea pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 4.2 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3cccnc3)cc21 | 10.1021/jm00039a015 | ||
| 10318757 | 102181 | 0 | None | - | 0 | Guinea pig | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.7 | O=C(c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL304453 | 102181 | 0 | None | - | 0 | Guinea pig | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.7 | O=C(c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10338907 | 201540 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 366 | 5 | 2 | 6 | 2.1 | NC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64472 | 201540 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 366 | 5 | 2 | 6 | 2.1 | NC(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 19379132 | 206523 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 483 | 6 | 1 | 6 | 5.7 | O=C(c1ccn2c1CSC2c1cccnc1)c1cn(CCO)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98835 | 206523 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 483 | 6 | 1 | 6 | 5.7 | O=C(c1ccn2c1CSC2c1cccnc1)c1cn(CCO)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00509-R | ||
| 10019976 | 102249 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 337 | 4 | 1 | 5 | 3.6 | CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL304879 | 102249 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 337 | 4 | 1 | 5 | 3.6 | CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10471661 | 100440 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 327 | 3 | 2 | 4 | 3.3 | O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL293862 | 100440 | 0 | None | - | 0 | Guinea pig | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 327 | 3 | 2 | 4 | 3.3 | O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 10045339 | 162632 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 380 | 6 | 2 | 6 | 2.5 | NC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL418125 | 162632 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 380 | 6 | 2 | 6 | 2.5 | NC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 44304089 | 201268 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 395 | 6 | 3 | 6 | 2.3 | NC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL62983 | 201268 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 395 | 6 | 3 | 6 | 2.3 | NC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10476961 | 201466 | 0 | None | - | 0 | Guinea pig | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL64198 | 201466 | 0 | None | - | 0 | Guinea pig | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 4.7 | O=C([C@@H]1CSC(c2cccnc2)N1)n1ccc2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 9928151 | 107068 | 0 | None | - | 0 | Guinea pig | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 345 | 3 | 1 | 4 | 4.4 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2ccccc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL318874 | 107068 | 0 | None | - | 0 | Guinea pig | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 345 | 3 | 1 | 4 | 4.4 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2ccccc12 | 10.1016/0960-894X(95)00509-R | ||
| 19379115 | 4148 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 482 | 4 | 1 | 6 | 5.6 | NC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL100251 | 4148 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 482 | 4 | 1 | 6 | 5.6 | NC(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10452837 | 101700 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 387 | 3 | 2 | 4 | 3.9 | O=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| CHEMBL302683 | 101700 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 387 | 3 | 2 | 4 | 3.9 | O=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CSC(c2cccnc2)N1 | 10.1021/jm00039a015 | ||
| 11723716 | 201105 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 323 | 3 | 2 | 4 | 3.5 | Cc1cccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c12 | 10.1021/jm00039a015 | ||
| CHEMBL62219 | 201105 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 323 | 3 | 2 | 4 | 3.5 | Cc1cccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c12 | 10.1021/jm00039a015 | ||
| 44303983 | 201464 | 0 | None | - | 0 | Guinea pig | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 3 | 3.5 | c1cncc(C2N[C@H](Cc3c[nH]c4ccccc34)CS2)c1 | 10.1021/jm00039a015 | ||
| CHEMBL64194 | 201464 | 0 | None | - | 0 | Guinea pig | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 295 | 3 | 2 | 3 | 3.5 | c1cncc(C2N[C@H](Cc3c[nH]c4ccccc34)CS2)c1 | 10.1021/jm00039a015 | ||
| 15292729 | 206695 | 0 | None | - | 0 | Guinea pig | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 451 | 6 | 1 | 5 | 6.0 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cc(OCc3ccccc3)ccc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99928 | 206695 | 0 | None | - | 0 | Guinea pig | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 451 | 6 | 1 | 5 | 6.0 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cc(OCc3ccccc3)ccc12 | 10.1016/0960-894X(95)00509-R | ||
| 44330350 | 206642 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 453 | 4 | 0 | 5 | 6.2 | Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL99583 | 206642 | 0 | None | - | 0 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 453 | 4 | 0 | 5 | 6.2 | Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 129796 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00039a015 | ||
| CHEMBL29067 | 99990 | 31 | None | 1 | 2 | Guinea pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1021/jm00039a015 | ||
| 9865147 | 101816 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 389 | 5 | 2 | 5 | 3.7 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CSC(c3cccnc3)N2)c1 | 10.1021/jm00039a015 | ||
| CHEMBL303357 | 101816 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 389 | 5 | 2 | 5 | 3.7 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CSC(c3cccnc3)N2)c1 | 10.1021/jm00039a015 | ||
| 10092032 | 200553 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 394 | 5 | 1 | 6 | 2.7 | CN(C)C(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL60996 | 200553 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 394 | 5 | 1 | 6 | 2.7 | CN(C)C(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10431384 | 79190 | 0 | None | - | 0 | Guinea pig | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1C(=O)C(F)(F)F | 10.1021/jm00039a015 | ||
| CHEMBL2114467 | 79190 | 0 | None | - | 0 | Guinea pig | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1C(=O)C(F)(F)F | 10.1021/jm00039a015 | ||
| 10717912 | 206522 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 439 | 4 | 1 | 4 | 6.2 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL98831 | 206522 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 439 | 4 | 1 | 4 | 6.2 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00509-R | ||
| 10365807 | 11167 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 437 | 3 | 1 | 7 | 5.0 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)OC(C)(C)C | 10.1021/jm00039a015 | ||
| CHEMBL1179109 | 11167 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 437 | 3 | 1 | 7 | 5.0 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)OC(C)(C)C | 10.1021/jm00039a015 | ||
| CHEMBL60676 | 11167 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 437 | 3 | 1 | 7 | 5.0 | Cc1ccc2c(c1)c(C(=O)[C@@H]1CSC(c3cccnc3)N1)c(C)n2C(=O)OC(C)(C)C | 10.1021/jm00039a015 | ||
| 10006437 | 201207 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 507 | 8 | 1 | 8 | 4.4 | CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL62722 | 201207 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 507 | 8 | 1 | 8 | 4.4 | CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 | 10.1021/jm00039a015 | ||
| 10478363 | 12324 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 439 | 4 | 1 | 8 | 4.4 | COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL1185934 | 12324 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 439 | 4 | 1 | 8 | 4.4 | COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL442170 | 12324 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 439 | 4 | 1 | 8 | 4.4 | COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 | 10.1021/jm00039a015 | ||
| 10475683 | 199739 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 393 | 3 | 1 | 6 | 4.3 | CC(C)(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL60477 | 199739 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 393 | 3 | 1 | 6 | 4.3 | CC(C)(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10409191 | 201425 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 408 | 3 | 2 | 6 | 4.0 | CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| CHEMBL64034 | 201425 | 0 | None | - | 0 | Guinea pig | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 408 | 3 | 2 | 6 | 4.0 | CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21 | 10.1021/jm00039a015 | ||
| 10474251 | 100410 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 369 | 5 | 2 | 6 | 3.2 | COc1cc2[nH]cc(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2cc1OC | 10.1021/jm00039a015 | ||
| CHEMBL293653 | 100410 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 369 | 5 | 2 | 6 | 3.2 | COc1cc2[nH]cc(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2cc1OC | 10.1021/jm00039a015 | ||
| 10342990 | 100451 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 436 | 3 | 1 | 7 | 3.2 | Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1 | 10.1021/jm00039a015 | ||
| CHEMBL293916 | 100451 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 436 | 3 | 1 | 7 | 3.2 | Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1 | 10.1021/jm00039a015 | ||
| 15292718 | 4159 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 450 | 3 | 0 | 6 | 5.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Cl)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL100321 | 4159 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 450 | 3 | 0 | 6 | 5.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(Cl)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10457611 | 100406 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 474 | 4 | 1 | 6 | 5.0 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1021/jm00039a015 | ||
| CHEMBL293642 | 100406 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 474 | 4 | 1 | 6 | 5.0 | CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1021/jm00039a015 | ||
| 10025326 | 11186 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 423 | 3 | 1 | 7 | 4.7 | Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C | 10.1021/jm00039a015 | ||
| CHEMBL1179209 | 11186 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 423 | 3 | 1 | 7 | 4.7 | Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C | 10.1021/jm00039a015 | ||
| CHEMBL64882 | 11186 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 423 | 3 | 1 | 7 | 4.7 | Cc1c(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C | 10.1021/jm00039a015 | ||
| 11724774 | 201445 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 339 | 4 | 2 | 5 | 3.2 | COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL64125 | 201445 | 0 | None | - | 0 | Guinea pig | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 339 | 4 | 2 | 5 | 3.2 | COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1 | 10.1021/jm00039a015 | ||
| 15292730 | 106930 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 451 | 6 | 1 | 5 | 6.0 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL318044 | 106930 | 0 | None | - | 0 | Guinea pig | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 451 | 6 | 1 | 5 | 6.0 | O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12 | 10.1016/0960-894X(95)00509-R | ||
| 15292716 | 4400 | 0 | None | - | 0 | Guinea pig | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 546 | 6 | 0 | 7 | 5.3 | CN(C)S(=O)(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL101760 | 4400 | 0 | None | - | 0 | Guinea pig | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 546 | 6 | 0 | 7 | 5.3 | CN(C)S(=O)(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00509-R | ||
| 10341665 | 100265 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 413 | 4 | 1 | 6 | 4.3 | O=C(c1ccccc1)c1ccc2ccn(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1 | 10.1021/jm00039a015 | ||
| CHEMBL292704 | 100265 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 413 | 4 | 1 | 6 | 4.3 | O=C(c1ccccc1)c1ccc2ccn(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1 | 10.1021/jm00039a015 | ||
| 15292701 | 106804 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 416 | 3 | 0 | 6 | 4.4 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21 | 10.1016/0960-894X(95)00509-R | ||
| CHEMBL317119 | 106804 | 0 | None | - | 0 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 416 | 3 | 0 | 6 | 4.4 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21 | 10.1016/0960-894X(95)00509-R | ||
| 10409251 | 201146 | 0 | None | - | 0 | Guinea pig | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 409 | 3 | 1 | 5 | 4.8 | CC(C)(C)OC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 | 10.1021/jm00039a015 | ||
| CHEMBL62424 | 201146 | 0 | None | - | 0 | Guinea pig | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 409 | 3 | 1 | 5 | 4.8 | CC(C)(C)OC(=O)N1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 | 10.1021/jm00039a015 | ||
| 1859 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00039a015 | ||
| 1860 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00039a015 | ||
| 65889 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00039a015 | ||
| CHEMBL280164 | 431 | 53 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00039a015 | ||
| 4698 | 2965 | 0 | None | - | 1 | Human | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 361 | 6 | 1 | 6 | 3.3 | COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C | 2170626 | ||
| 6080 | 2965 | 0 | None | - | 1 | Human | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 361 | 6 | 1 | 6 | 3.3 | COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C | 2170626 | ||
| CHEMBL1395565 | 2965 | 0 | None | - | 1 | Human | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | 361 | 6 | 1 | 6 | 3.3 | COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C | 2170626 | ||
| 10103 | 3363 | 66 | None | -28 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| 133017 | 3363 | 66 | None | -28 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| 2413 | 3363 | 66 | None | -28 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| CHEMBL91397 | 3363 | 66 | None | -28 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| DB11614 | 3363 | 66 | None | -28 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | None | ||
| 6078 | 593 | 17 | None | -29 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | Guide to Pharmacology | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 2170626 | ||
| 65923 | 593 | 17 | None | -29 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | Guide to Pharmacology | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 2170626 | ||
| CHEMBL325439 | 593 | 17 | None | -29 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | Guide to Pharmacology | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 2170626 | ||
| 4698 | 2965 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 361 | 6 | 1 | 6 | 3.3 | COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C | 2170626 | ||
| 6080 | 2965 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 361 | 6 | 1 | 6 | 3.3 | COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C | 2170626 | ||
| CHEMBL1395565 | 2965 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 361 | 6 | 1 | 6 | 3.3 | COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C | 2170626 | ||
| 6078 | 593 | 17 | None | -29 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 2262914 | ||
| 65923 | 593 | 17 | None | -29 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 2262914 | ||
| CHEMBL325439 | 593 | 17 | None | -29 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | 467 | 2 | 0 | 7 | 3.2 | O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1 | 2262914 | ||
| 107681 | 1196 | 24 | None | 45 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 2986648 | ||
| 6079 | 1196 | 24 | None | 45 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 2986648 | ||
| CHEMBL295212 | 1196 | 24 | None | 45 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 2986648 | ||
| 107757 | 1197 | 1 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 15922596 | ||
| 107757 | 1197 | 1 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 1657923 | ||
| 1852 | 1197 | 1 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 15922596 | ||
| 1852 | 1197 | 1 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 1657923 | ||
| CHEMBL1180101 | 1197 | 1 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 15922596 | ||
| CHEMBL1180101 | 1197 | 1 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 1657923 | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| 1834 | 1528 | 0 | None | - | 1 | Human | 5.0 | pIC50 | None | 5 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| 2499 | 1528 | 0 | None | - | 1 | Human | 5.0 | pIC50 | None | 5 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| CHEMBL17935 | 1528 | 0 | None | - | 1 | Human | 5.0 | pIC50 | None | 5 | Functional | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 7594622 | ||
| 132181 | 72 | 0 | None | - | 1 | Human | 5.8 | pIC50 | None | 5.8 | Functional | Guide to Pharmacology | 565 | 27 | 0 | 7 | 6.7 | CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C | 7594622 | ||
| 1830 | 72 | 0 | None | - | 1 | Human | 5.8 | pIC50 | None | 5.8 | Functional | Guide to Pharmacology | 565 | 27 | 0 | 7 | 6.7 | CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C | 7594622 | ||
| 1853 | 3495 | 27 | None | -6 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10465415 | ||
| 60680 | 3495 | 27 | None | -6 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10465415 | ||
| CHEMBL10971 | 3495 | 27 | None | -6 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10465415 | ||
| 1854 | 3496 | 5 | None | - | 1 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 355 | 1 | 0 | 3 | 3.1 | Clc1ccc2c(c1)CCc1c(C2N2CCN(CC2)C(=O)C)nccc1 | 10465415 | ||
| 9950564 | 3496 | 5 | None | - | 1 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 355 | 1 | 0 | 3 | 3.1 | Clc1ccc2c(c1)CCc1c(C2N2CCN(CC2)C(=O)C)nccc1 | 10465415 | ||
| CHEMBL326821 | 3496 | 5 | None | - | 1 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 355 | 1 | 0 | 3 | 3.1 | Clc1ccc2c(c1)CCc1c(C2N2CCN(CC2)C(=O)C)nccc1 | 10465415 | ||
| 159547 | 3513 | 14 | None | - | 1 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 3183958 | ||
| 1855 | 3513 | 14 | None | - | 1 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 3183958 | ||
| CHEMBL449395 | 3513 | 14 | None | - | 1 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 3183958 | ||
| 1829 | 71 | 0 | None | - | 1 | Human | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 510 | 26 | 1 | 5 | 6.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC | 7594622 | ||
| 9546625 | 71 | 0 | None | - | 1 | Human | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 510 | 26 | 1 | 5 | 6.7 | CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC | 7594622 | ||
| 119175 | 2067 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | 488 | 6 | 0 | 5 | 7.2 | CC(Cc1ccc(cc1)CCc1sc2c(c1)C(=NC(c1n2c(C)nn1)C)c1ccccc1Cl)C | 1657923 | ||
| 1857 | 2067 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | 488 | 6 | 0 | 5 | 7.2 | CC(Cc1ccc(cc1)CCc1sc2c(c1)C(=NC(c1n2c(C)nn1)C)c1ccccc1Cl)C | 1657923 | ||
| CHEMBL2107428 | 2067 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | 488 | 6 | 0 | 5 | 7.2 | CC(Cc1ccc(cc1)CCc1sc2c(c1)C(=NC(c1n2c(C)nn1)C)c1ccccc1Cl)C | 1657923 | ||
| 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 |
| 460131 | 96857 | 4 | None | - | 0 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 631 | 13 | 1 | 10 | 3.9 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)CC(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL269132 | 96857 | 4 | None | - | 0 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 631 | 13 | 1 | 10 | 3.9 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)CC(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 6324617 | 188972 | 34 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1021/jm00060a006 | ||
| CHEMBL514432 | 188972 | 34 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1021/jm00060a006 | ||
| 3075901 | 201200 | 4 | None | - | 0 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6270 | 201200 | 4 | None | - | 0 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 3075901 | 201200 | 4 | None | - | 0 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6270 | 201200 | 4 | None | - | 0 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 131088 | 96779 | 5 | None | - | 0 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL268596 | 96779 | 5 | None | - | 0 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075903 | 201100 | 7 | None | - | 0 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 546 | 10 | 0 | 10 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6217 | 201100 | 7 | None | - | 0 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 546 | 10 | 0 | 10 | 2.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 131088 | 96779 | 5 | None | - | 0 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL268596 | 96779 | 5 | None | - | 0 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 588 | 10 | 0 | 10 | 3.3 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075899 | 201073 | 4 | None | - | 0 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6203 | 201073 | 4 | None | - | 0 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075899 | 201073 | 4 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6203 | 201073 | 4 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3075899 | 201073 | 4 | None | - | 0 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL6203 | 201073 | 4 | None | - | 0 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 642 | 11 | 0 | 10 | 4.2 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 457910 | 96856 | 1 | None | - | 0 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 631 | 14 | 0 | 10 | 4.0 | CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL269131 | 96856 | 1 | None | - | 0 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 631 | 14 | 0 | 10 | 4.0 | CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 10077575 | 95222 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 617 | 12 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| CHEMBL258053 | 95222 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 617 | 12 | 1 | 10 | 3.5 | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)C)C2)cc(OC)c1OC | 10.1021/jm00060a006 | ||
| 3013157 | 96887 | 2 | None | - | 0 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 603 | 13 | 1 | 10 | 3.2 | CCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL269340 | 96887 | 2 | None | - | 0 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 603 | 13 | 1 | 10 | 3.2 | CCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 3075901 | 201200 | 4 | None | - | 0 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| CHEMBL6270 | 201200 | 4 | None | - | 0 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 602 | 13 | 0 | 10 | 3.7 | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 | 10.1021/jm00060a006 | ||
| 9954410 | 49925 | 1 | None | - | 0 | Human | 10.8 | pIC50 | = | 10.8 | Binding | ChEMBL | 430 | 10 | 1 | 6 | 3.5 | CCOC[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL157078 | 49925 | 1 | None | - | 0 | Human | 10.8 | pIC50 | = | 10.8 | Binding | ChEMBL | 430 | 10 | 1 | 6 | 3.5 | CCOC[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| 14851874 | 98260 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 497 | 2 | 0 | 6 | 5.0 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL277701 | 98260 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 497 | 2 | 0 | 6 | 5.0 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| 14851876 | 73563 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 498 | 2 | 0 | 8 | 4.3 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(C)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20195 | 73563 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 498 | 2 | 0 | 8 | 4.3 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(C)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851882 | 71330 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 526 | 2 | 0 | 9 | 3.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(C)c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL19640 | 71330 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 526 | 2 | 0 | 9 | 3.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(C)c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851869 | 71666 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 499 | 2 | 0 | 7 | 4.4 | Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL19747 | 71666 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 499 | 2 | 0 | 7 | 4.4 | Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851877 | 72491 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 523 | 2 | 1 | 6 | 5.6 | Cc1nnc2n1-c1sc(C#CCC34CCCc5cccc(c53)NC4=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20019 | 72491 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 523 | 2 | 1 | 6 | 5.6 | Cc1nnc2n1-c1sc(C#CCC34CCCc5cccc(c53)NC4=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44297792 | 100427 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 634 | 14 | 0 | 10 | 5.4 | CCCS(=O)(=O)c1cc(C2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80446-7 | ||
| CHEMBL293773 | 100427 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 634 | 14 | 0 | 10 | 5.4 | CCCS(=O)(=O)c1cc(C2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80446-7 | ||
| 10002808 | 206592 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccccc12 | 10.1021/jm00172a029 | ||
| CHEMBL99294 | 206592 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccccc12 | 10.1021/jm00172a029 | ||
| 14851887 | 98794 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 560 | 3 | 0 | 8 | 5.8 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(-c4ccccc4)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL281779 | 98794 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 560 | 3 | 0 | 8 | 5.8 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(-c4ccccc4)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851886 | 98969 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 495 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3ccc4ccccc4c3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL282883 | 98969 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 495 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3ccc4ccccc4c3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851865 | 99018 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 468 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3ncc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL283162 | 99018 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 468 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3ncc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 6918268 | 79091 | 7 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 632 | 13 | 2 | 9 | 6.7 | COc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(CNC(=O)N(C)O)c1OCCSc1ccc(Cl)cc1 | 10.1021/jm980046r | ||
| CHEMBL2113720 | 79091 | 7 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 632 | 13 | 2 | 9 | 6.7 | COc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(CNC(=O)N(C)O)c1OCCSc1ccc(Cl)cc1 | 10.1021/jm980046r | ||
| 9824829 | 108228 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 5.1 | COc1cc(CCc2ccc(C3=Cc4ccsc4C4=NCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL320835 | 108228 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 5.1 | COc1cc(CCc2ccc(C3=Cc4ccsc4C4=NCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 14851902 | 99463 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 338 | 1 | 0 | 5 | 3.6 | C#Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl | 10.1021/jm00108a031 | ||
| CHEMBL286217 | 99463 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 338 | 1 | 0 | 5 | 3.6 | C#Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl | 10.1021/jm00108a031 | ||
| 44281337 | 167286 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 472 | 6 | 0 | 5 | 7.2 | CCCCc1ccc(/C=C\c2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 | 10.1021/jm00108a031 | ||
| CHEMBL430919 | 167286 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 472 | 6 | 0 | 5 | 7.2 | CCCCc1ccc(/C=C\c2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 | 10.1021/jm00108a031 | ||
| 10624368 | 168832 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 474 | 7 | 0 | 5 | 6.8 | CCCCc1ccc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 | 10.1021/jm00108a031 | ||
| CHEMBL442259 | 168832 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 474 | 7 | 0 | 5 | 6.8 | CCCCc1ccc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 | 10.1021/jm00108a031 | ||
| 44284550 | 135923 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 415 | 6 | 0 | 5 | 4.8 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccc(Br)cc2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL37357 | 135923 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 415 | 6 | 0 | 5 | 4.8 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccc(Br)cc2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| 14347400 | 167403 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL431744 | 167403 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14347434 | 192971 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 462 | 8 | 1 | 4 | 6.4 | COc1ccc(C(=C/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL53014 | 192971 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 462 | 8 | 1 | 4 | 6.4 | COc1ccc(C(=C/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 14851836 | 71842 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 475 | 2 | 0 | 6 | 3.7 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL19801 | 71842 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 475 | 2 | 0 | 6 | 3.7 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 13557499 | 35327 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.0 | Cc1cc2nc3ccc(C(=O)NCCCCc4cncnc4)cn3c(=O)c2cc1C | 10.1021/jm00397a034 | ||
| CHEMBL143914 | 35327 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.0 | Cc1cc2nc3ccc(C(=O)NCCCCc4cncnc4)cn3c(=O)c2cc1C | 10.1021/jm00397a034 | ||
| 14851906 | 99718 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 414 | 1 | 0 | 5 | 5.0 | Cc1nnc2n1-c1sc(C#Cc3ccccc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL288098 | 99718 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 414 | 1 | 0 | 5 | 5.0 | Cc1nnc2n1-c1sc(C#Cc3ccccc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084147 | 112601 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 6.2 | Cc1nnc2n1-c1sc(C#Cc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL33139 | 112601 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 6.2 | Cc1nnc2n1-c1sc(C#Cc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44386405 | 131020 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 484 | 5 | 0 | 7 | 5.6 | Cc1nnc2n1-c1sc(CCc3ccc(-n4ccnc4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL369194 | 131020 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 484 | 5 | 0 | 7 | 5.6 | Cc1nnc2n1-c1sc(CCc3ccc(-n4ccnc4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44283802 | 138267 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 373 | 9 | 0 | 6 | 3.9 | COc1cc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37809 | 138267 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 373 | 9 | 0 | 6 | 3.9 | COc1cc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 14547304 | 101375 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 384 | 15 | 1 | 2 | 6.6 | CCCCCC(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)CCCCC | 10.1021/jm00128a026 | ||
| CHEMBL300463 | 101375 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 384 | 15 | 1 | 2 | 6.6 | CCCCCC(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)CCCCC | 10.1021/jm00128a026 | ||
| 44284467 | 123352 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 373 | 9 | 0 | 6 | 3.9 | COc1cc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL36269 | 123352 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 373 | 9 | 0 | 6 | 3.9 | COc1cc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 14547223 | 192913 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 384 | 10 | 1 | 2 | 5.4 | O=C(CCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL52821 | 192913 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 384 | 10 | 1 | 2 | 5.4 | O=C(CCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 122159 | 100884 | 12 | None | - | 0 | Guinea pig | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| CHEMBL296958 | 100884 | 12 | None | - | 0 | Guinea pig | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| 14851922 | 73026 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 505 | 3 | 0 | 6 | 4.5 | COC1N=C(c2ccccc2F)c2cc(C#CCN3C(=O)CCc4ccccc43)ccc2-n2c(C)nnc21 | 10.1021/jm00107a048 | ||
| CHEMBL20141 | 73026 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 505 | 3 | 0 | 6 | 4.5 | COC1N=C(c2ccccc2F)c2cc(C#CCN3C(=O)CCc4ccccc43)ccc2-n2c(C)nnc21 | 10.1021/jm00107a048 | ||
| 14851932 | 75993 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 491 | 2 | 0 | 5 | 4.9 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccc(Cl)cc1)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20591 | 75993 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 491 | 2 | 0 | 5 | 4.9 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccc(Cl)cc1)=NC2 | 10.1021/jm00107a048 | ||
| 14851895 | 99016 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 489 | 3 | 0 | 6 | 4.0 | CCc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL283152 | 99016 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 489 | 3 | 0 | 6 | 4.0 | CCc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 13557473 | 100365 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 402 | 7 | 1 | 6 | 3.0 | COc1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL293362 | 100365 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 402 | 7 | 1 | 6 | 3.0 | COc1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 13557495 | 196490 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 406 | 6 | 1 | 5 | 3.6 | O=C(NCCCCc1cccnc1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| CHEMBL57489 | 196490 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 406 | 6 | 1 | 5 | 3.6 | O=C(NCCCCc1cccnc1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| 23214200 | 48639 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 558 | 11 | 2 | 8 | 6.7 | CCCOc1c(NC(=O)N(O)C2CCCCC2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155975 | 48639 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 558 | 11 | 2 | 8 | 6.7 | CCCOc1c(NC(=O)N(O)C2CCCCC2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 15084138 | 109263 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 396 | 2 | 2 | 7 | 3.7 | Cc1nnc2n1-c1sc(-c3cc(O)[nH]n3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32303 | 109263 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 396 | 2 | 2 | 7 | 3.7 | Cc1nnc2n1-c1sc(-c3cc(O)[nH]n3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084139 | 113028 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 494 | 3 | 1 | 9 | 2.9 | Cc1nnc2n1-c1sc(-c3[nH]nnc3C(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL33217 | 113028 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 494 | 3 | 1 | 9 | 2.9 | Cc1nnc2n1-c1sc(-c3[nH]nnc3C(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44283932 | 11893 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 3.4 | COc1ccc([C@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL1183269 | 11893 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 3.4 | COc1ccc([C@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL287821 | 11893 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 3.4 | COc1ccc([C@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44283769 | 137335 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 317 | 6 | 0 | 3 | 4.6 | Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37603 | 137335 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 317 | 6 | 0 | 3 | 4.6 | Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 10618661 | 204895 | 0 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.4 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@]1(CO1)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL89088 | 204895 | 0 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.4 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@]1(CO1)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 10809563 | 39064 | 0 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 376 | 3 | 0 | 4 | 4.9 | CCC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O | 10.1021/jm950640q | ||
| CHEMBL147079 | 39064 | 0 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 376 | 3 | 0 | 4 | 4.9 | CCC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O | 10.1021/jm950640q | ||
| 44340797 | 9491 | 1 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL112481 | 9491 | 1 | None | - | 1 | Guinea pig | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC | 10.1016/S0960-894X(01)80818-0 | ||
| 14894667 | 74645 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 2 | 0 | 6 | 3.4 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nncn1-2 | 10.1021/jm00107a048 | ||
| CHEMBL20325 | 74645 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 2 | 0 | 6 | 3.4 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nncn1-2 | 10.1021/jm00107a048 | ||
| 14851835 | 75775 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 418 | 1 | 0 | 4 | 3.7 | Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20577 | 75775 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 418 | 1 | 0 | 4 | 3.7 | Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 14851894 | 77426 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 434 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20914 | 77426 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 434 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273438 | 98570 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 2 | 0 | 5 | 5.0 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=N[C@@H]2C | 10.1021/jm00107a048 | ||
| CHEMBL280207 | 98570 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 489 | 2 | 0 | 5 | 5.0 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=N[C@@H]2C | 10.1021/jm00107a048 | ||
| 14851927 | 99055 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 545 | 2 | 0 | 5 | 5.6 | O=C1CCc2ccccc2N1CC#Cc1ccc2c(c1)C(c1ccc(Cl)cc1)=NCc1nnc(C(F)(F)F)n1-2 | 10.1021/jm00107a048 | ||
| CHEMBL283365 | 99055 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 545 | 2 | 0 | 5 | 5.6 | O=C1CCc2ccccc2N1CC#Cc1ccc2c(c1)C(c1ccc(Cl)cc1)=NCc1nnc(C(F)(F)F)n1-2 | 10.1021/jm00107a048 | ||
| 44273297 | 162675 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 420 | 1 | 1 | 4 | 3.5 | Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1F)NC2 | 10.1021/jm00107a048 | ||
| CHEMBL418370 | 162675 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 420 | 1 | 1 | 4 | 3.5 | Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1F)NC2 | 10.1021/jm00107a048 | ||
| 10243193 | 104059 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 236 | 1 | 0 | 3 | 2.9 | C1=C(c2ccco2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL310425 | 104059 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 236 | 1 | 0 | 3 | 2.9 | C1=C(c2ccco2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 10444655 | 203764 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 247 | 1 | 0 | 3 | 2.7 | C1=C(c2cccnc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL80505 | 203764 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 247 | 1 | 0 | 3 | 2.7 | C1=C(c2cccnc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 44370579 | 119461 | 3 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c1 | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL349811 | 119461 | 3 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c1 | 10.1016/S0960-894X(01)81205-1 | ||
| 44281548 | 99544 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 456 | 3 | 0 | 5 | 6.3 | Cc1nnc2n1-c1sc(/C=C\c3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL286762 | 99544 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 456 | 3 | 0 | 5 | 6.3 | Cc1nnc2n1-c1sc(/C=C\c3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44273266 | 98692 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 2 | 1 | 6 | 3.6 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)NC2 | 10.1021/jm00107a048 | ||
| CHEMBL281139 | 98692 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 2 | 1 | 6 | 3.6 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)NC2 | 10.1021/jm00107a048 | ||
| 44299954 | 100094 | 0 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc(C2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL291515 | 100094 | 0 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc(C2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| 7099836 | 195493 | 1 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL56800 | 195493 | 1 | None | - | 0 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| 10021505 | 162950 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 361 | 3 | 0 | 4 | 3.8 | C1=C(c2ccc(CN3CCSCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL420208 | 162950 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 361 | 3 | 0 | 4 | 3.8 | C1=C(c2ccc(CN3CCSCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 9998465 | 203709 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 357 | 3 | 0 | 3 | 4.6 | CC1CCCCN1Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL80179 | 203709 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 357 | 3 | 0 | 3 | 4.6 | CC1CCCCN1Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 10060480 | 203700 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 246 | 1 | 0 | 2 | 3.3 | C1=C(c2ccccc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL80130 | 203700 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 246 | 1 | 0 | 2 | 3.3 | C1=C(c2ccccc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 44399100 | 133090 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL371351 | 133090 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| 14964730 | 108256 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 7 | 0 | 6 | 4.7 | COc1cc(CCc2ccc(C3=Nc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL320871 | 108256 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 441 | 7 | 0 | 6 | 4.7 | COc1cc(CCc2ccc(C3=Nc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 73356389 | 89099 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 318 | 0 | 1 | 3 | 4.1 | C/C1=C\[C@@]2(O)OC[C@]34O[C@@]32CC[C@@H](C)[C@@]4(C)CC/C(C)=C/CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL2373409 | 89099 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 318 | 0 | 1 | 3 | 4.1 | C/C1=C\[C@@]2(O)OC[C@]34O[C@@]32CC[C@@H](C)[C@@]4(C)CC/C(C)=C/CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| 14347344 | 192957 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 11 | 1 | 6 | 5.0 | O=C(/C=C/C=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL52970 | 192957 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 11 | 1 | 6 | 5.0 | O=C(/C=C/C=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 132115 | 11614 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL1181271 | 11614 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL161096 | 11614 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL290840 | 11614 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 575 | 23 | 0 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | 10.1016/S0960-894X(00)80005-0 | ||
| 14851858 | 98597 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 547 | 2 | 0 | 7 | 5.4 | Cc1nnc2n1-c1sc(C#CCN3C(=O)c4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL280401 | 98597 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 547 | 2 | 0 | 7 | 5.4 | Cc1nnc2n1-c1sc(C#CCN3C(=O)c4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851880 | 99084 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 537 | 2 | 0 | 6 | 5.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)C4(C)CCCc5cccc3c54)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL283525 | 99084 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 537 | 2 | 0 | 6 | 5.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)C4(C)CCCc5cccc3c54)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273257 | 162282 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 525 | 2 | 0 | 6 | 5.7 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CC(C)(C)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL417275 | 162282 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 525 | 2 | 0 | 6 | 5.7 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CC(C)(C)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44281549 | 109833 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 4 | 0 | 5 | 7.9 | Cc1nnc2n1-c1sc(/C=C\c3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32389 | 109833 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 4 | 0 | 5 | 7.9 | Cc1nnc2n1-c1sc(/C=C\c3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 10018799 | 119324 | 0 | None | - | 0 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 1 | 0 | 3 | 4.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2C=O | 10.1021/jm950640q | ||
| CHEMBL348494 | 119324 | 0 | None | - | 0 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 318 | 1 | 0 | 3 | 4.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2C=O | 10.1021/jm950640q | ||
| 9820228 | 119064 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 359 | 11 | 0 | 5 | 5.0 | CCCCCCCC1CCC(OCCCn2c(C)nc3cnccc32)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL34612 | 119064 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 359 | 11 | 0 | 5 | 5.0 | CCCCCCCC1CCC(OCCCn2c(C)nc3cnccc32)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| 14547295 | 193293 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 12 | 1 | 4 | 6.0 | CC[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(OC)cc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL54482 | 193293 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 12 | 1 | 4 | 6.0 | CC[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(OC)cc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 122159 | 100884 | 12 | None | - | 0 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| CHEMBL296958 | 100884 | 12 | None | - | 0 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| 14851878 | 76536 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 517 | 2 | 0 | 6 | 6.8 | Cc1nnc2n1-c1sc(C#CCn3c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20701 | 76536 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 517 | 2 | 0 | 6 | 6.8 | Cc1nnc2n1-c1sc(C#CCn3c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851914 | 99008 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 454 | 1 | 0 | 5 | 4.8 | Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2C | 10.1021/jm00107a048 | ||
| CHEMBL283113 | 99008 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 454 | 1 | 0 | 5 | 4.8 | Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2C | 10.1021/jm00107a048 | ||
| 13739736 | 101478 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 7 | 1 | 5 | 4.9 | CC(C)c1ccc2nc3ccc(C(=O)NC(C)(C)CCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL301215 | 101478 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 7 | 1 | 5 | 4.9 | CC(C)c1ccc2nc3ccc(C(=O)NC(C)(C)CCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 13557477 | 196476 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 388 | 6 | 2 | 6 | 2.7 | O=C(NCCCCc1cccnc1)c1ccc2nc3ccc(O)cc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| CHEMBL57480 | 196476 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 388 | 6 | 2 | 6 | 2.7 | O=C(NCCCCc1cccnc1)c1ccc2nc3ccc(O)cc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| 10498071 | 204983 | 0 | None | - | 0 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 350 | 6 | 2 | 4 | 3.6 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC/C(=C/CO)CO | 10.1021/jm970569j | ||
| CHEMBL89784 | 204983 | 0 | None | - | 0 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 350 | 6 | 2 | 4 | 3.6 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC/C(=C/CO)CO | 10.1021/jm970569j | ||
| 14570094 | 187860 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 10 | 1 | 4 | 6.2 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2ccc(OC)cc2)cc1 | 10.1021/jm00128a025 | ||
| CHEMBL50250 | 187860 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 10 | 1 | 4 | 6.2 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2ccc(OC)cc2)cc1 | 10.1021/jm00128a025 | ||
| 11450461 | 89100 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL2373416 | 89100 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O | 10.1016/j.bmcl.2005.04.048 | ||
| 6324617 | 188972 | 34 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| CHEMBL514432 | 188972 | 34 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| 129796 | 99990 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL29067 | 99990 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/S0960-894X(01)81205-1 | ||
| 5312127 | 62989 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL1793831 | 62989 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1016/S0960-894X(00)80005-0 | ||
| 5312127 | 62989 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL1793831 | 62989 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1016/S0960-894X(00)80006-2 | ||
| 60775 | 98252 | 14 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 2 | 0 | 7 | 6.2 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL277650 | 98252 | 14 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 2 | 0 | 7 | 6.2 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 10547822 | 40554 | 0 | None | - | 0 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 380 | 2 | 1 | 5 | 4.5 | COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O | 10.1021/jm950640q | ||
| CHEMBL148549 | 40554 | 0 | None | - | 0 | Guinea pig | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 380 | 2 | 1 | 5 | 4.5 | COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O | 10.1021/jm950640q | ||
| 14851856 | 74679 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 3 | 0 | 6 | 4.4 | Cc1nnc2n1-c1ccc(C#CCOc3cccnc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20344 | 74679 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 3 | 0 | 6 | 4.4 | Cc1nnc2n1-c1ccc(C#CCOc3cccnc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 13557466 | 195946 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 7 | 1 | 5 | 4.1 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccncc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL57072 | 195946 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 7 | 1 | 5 | 4.1 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccncc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 10448705 | 119028 | 0 | None | - | 0 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2CO | 10.1021/jm950640q | ||
| CHEMBL345748 | 119028 | 0 | None | - | 0 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2CO | 10.1021/jm950640q | ||
| 10048859 | 203798 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 439 | 5 | 0 | 3 | 6.7 | C1=C(c2ccc(CN(C3CCCCC3)C3CCCCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL80774 | 203798 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 439 | 5 | 0 | 3 | 6.7 | C1=C(c2ccc(CN(C3CCCCC3)C3CCCCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 23214264 | 119114 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 6.1 | CCCCN(O)C(=O)Nc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL346538 | 119114 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 6.1 | CCCCN(O)C(=O)Nc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 14347409 | 100842 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 406 | 12 | 1 | 3 | 5.7 | CCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL296600 | 100842 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 406 | 12 | 1 | 3 | 5.7 | CCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14570113 | 101394 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 406 | 9 | 1 | 4 | 5.5 | COc1ccc(-c2ccc(C(S)=NCCCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL300644 | 101394 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 406 | 9 | 1 | 4 | 5.5 | COc1ccc(-c2ccc(C(S)=NCCCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| 10244542 | 105024 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 264 | 1 | 0 | 2 | 3.4 | Fc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL312130 | 105024 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 264 | 1 | 0 | 2 | 3.4 | Fc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 44399202 | 126252 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL365357 | 126252 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 334 | 0 | 2 | 4 | 3.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| 44328930 | 206322 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2ccc(OC)cc12 | 10.1021/jm00172a029 | ||
| CHEMBL97630 | 206322 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2ccc(OC)cc12 | 10.1021/jm00172a029 | ||
| 44284614 | 120704 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 4.0 | COc1ccc(C2CCC(OCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL35776 | 120704 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 4.0 | COc1ccc(C2CCC(OCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 14570089 | 193071 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 9 | 1 | 4 | 4.9 | COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL53585 | 193071 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 9 | 1 | 4 | 4.9 | COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| 44273441 | 76318 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 2 | 0 | 6 | 6.9 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5ccccc53)CCCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20644 | 76318 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 2 | 0 | 6 | 6.9 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5ccccc53)CCCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273385 | 98256 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 2 | 0 | 7 | 5.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)Cn4ccc5c(Cl)ccc3c54)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL277678 | 98256 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 2 | 0 | 7 | 5.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)Cn4ccc5c(Cl)ccc3c54)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273282 | 162707 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 2 | 0 | 8 | 5.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(C1=CC(=O)CC=C1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL418556 | 162707 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 2 | 0 | 8 | 5.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(C1=CC(=O)CC=C1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851839 | 167197 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 2 | 0 | 6 | 5.4 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL430333 | 167197 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 2 | 0 | 6 | 5.4 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851930 | 108421 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 1 | 0 | 5 | 6.2 | Cc1nnc2n1-c1sc(C#Cc3cccc4ccccc34)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32110 | 108421 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 1 | 0 | 5 | 6.2 | Cc1nnc2n1-c1sc(C#Cc3cccc4ccccc34)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44283865 | 138989 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37951 | 138989 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 9862913 | 99457 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL286197 | 99457 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 122159 | 100884 | 12 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL296958 | 100884 | 12 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1016/S0960-894X(01)80818-0 | ||
| 44273289 | 71577 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 583 | 5 | 0 | 10 | 3.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(CCN(C)C)c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL19721 | 71577 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 583 | 5 | 0 | 10 | 3.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(CCN(C)C)c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44283798 | 116845 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 373 | 9 | 0 | 6 | 3.9 | COc1cc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL33972 | 116845 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 373 | 9 | 0 | 6 | 3.9 | COc1cc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44284169 | 125667 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 329 | 7 | 0 | 5 | 3.5 | COc1ccc(C2CCC(OCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL36494 | 125667 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 329 | 7 | 0 | 5 | 3.5 | COc1ccc(C2CCC(OCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44299770 | 100070 | 0 | None | - | 0 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc(C2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00160a020 | ||
| CHEMBL291332 | 100070 | 0 | None | - | 0 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc(C2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00160a020 | ||
| 10060780 | 203706 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 252 | 1 | 0 | 3 | 3.3 | C1=C(c2cccs2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL80165 | 203706 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 252 | 1 | 0 | 3 | 3.3 | C1=C(c2cccs2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 44284057 | 11084 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 334 | 13 | 0 | 2 | 5.0 | CCCCCCC1CCC(OCCCCCC[n+]2ccccc2)O1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL1178669 | 11084 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 334 | 13 | 0 | 2 | 5.0 | CCCCCCC1CCC(OCCCCCC[n+]2ccccc2)O1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL36733 | 11084 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 334 | 13 | 0 | 2 | 5.0 | CCCCCCC1CCC(OCCCCCC[n+]2ccccc2)O1 | 10.1016/S0960-894X(00)80005-0 | ||
| 10642544 | 106415 | 0 | None | - | 0 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 5 | 1 | 5 | 3.3 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@H](CO)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL314577 | 106415 | 0 | None | - | 0 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 5 | 1 | 5 | 3.3 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@H](CO)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 44372435 | 53365 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 12 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160290 | 53365 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 12 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10652101 | 79103 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 674 | 16 | 2 | 9 | 7.8 | CCCCN(O)C(=O)NCc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1 | 10.1021/jm980046r | ||
| CHEMBL2113731 | 79103 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 674 | 16 | 2 | 9 | 7.8 | CCCCN(O)C(=O)NCc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1 | 10.1021/jm980046r | ||
| 44372409 | 53860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 10 | 2 | 8 | 5.0 | CCCOc1c(NC(=O)N(C)O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160692 | 53860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 10 | 2 | 8 | 5.0 | CCCOc1c(NC(=O)N(C)O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 44372440 | 119341 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 560 | 14 | 1 | 8 | 6.5 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(O)CC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL348609 | 119341 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 560 | 14 | 1 | 8 | 6.5 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(O)CC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 14347348 | 193361 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1 | 10.1021/jm00128a026 | ||
| CHEMBL54935 | 193361 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1 | 10.1021/jm00128a026 | ||
| 10688041 | 106390 | 0 | None | - | 0 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 4.7 | C=C1CCC2[C@@](C)(COC)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL314507 | 106390 | 0 | None | - | 0 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 4.7 | C=C1CCC2[C@@](C)(COC)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 44322197 | 204549 | 0 | None | - | 0 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 5 | 0 | 5 | 3.5 | COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(C=O)CCC12 | 10.1021/jm970569j | ||
| CHEMBL86916 | 204549 | 0 | None | - | 0 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 5 | 0 | 5 | 3.5 | COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(C=O)CCC12 | 10.1021/jm970569j | ||
| 44366103 | 43394 | 0 | None | - | 0 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 334 | 1 | 0 | 4 | 3.3 | C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C=O | 10.1021/jm950640q | ||
| CHEMBL150968 | 43394 | 0 | None | - | 0 | Guinea pig | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 334 | 1 | 0 | 4 | 3.3 | C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C=O | 10.1021/jm950640q | ||
| 10448393 | 104298 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 314 | 1 | 0 | 2 | 4.6 | Clc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1Cl | 10.1021/jm00002a004 | ||
| CHEMBL310866 | 104298 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 314 | 1 | 0 | 2 | 4.6 | Clc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1Cl | 10.1021/jm00002a004 | ||
| 14570110 | 193128 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 446 | 12 | 1 | 4 | 5.9 | CCCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| CHEMBL53867 | 193128 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 446 | 12 | 1 | 4 | 5.9 | CCCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| 44299770 | 100070 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc(C2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00397a034 | ||
| CHEMBL291332 | 100070 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc(C2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00397a034 | ||
| 14850516 | 99514 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 453 | 3 | 0 | 7 | 3.5 | Cc1nnc2n1-c1sc(/C=C\C(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL286557 | 99514 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 453 | 3 | 0 | 7 | 3.5 | Cc1nnc2n1-c1sc(/C=C\C(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084135 | 109301 | 22 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 368 | 1 | 1 | 6 | 3.0 | Cc1nnc2n1-c1sc(C#CCO)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32327 | 109301 | 22 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 368 | 1 | 1 | 6 | 3.0 | Cc1nnc2n1-c1sc(C#CCO)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 10668293 | 43515 | 0 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 393 | 2 | 1 | 4 | 4.4 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H](O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)N(C)C | 10.1021/jm950640q | ||
| CHEMBL151075 | 43515 | 0 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 393 | 2 | 1 | 4 | 4.4 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H](O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)N(C)C | 10.1021/jm950640q | ||
| 10500673 | 43729 | 0 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 391 | 2 | 0 | 4 | 4.6 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)N(C)C | 10.1021/jm950640q | ||
| CHEMBL151310 | 43729 | 0 | None | - | 0 | Guinea pig | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 391 | 2 | 0 | 4 | 4.6 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)N(C)C | 10.1021/jm950640q | ||
| 14570100 | 193086 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.7 | COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2Br)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL53750 | 193086 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.7 | COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2Br)cc1OC | 10.1021/jm00128a025 | ||
| 13557475 | 200005 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 6 | 1 | 5 | 3.0 | O=C(NCCCCc1cccnc1)c1ccc2nc3ccccc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| CHEMBL60625 | 200005 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 6 | 1 | 5 | 3.0 | O=C(NCCCCc1cccnc1)c1ccc2nc3ccccc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| 44283777 | 133051 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 339 | 5 | 0 | 5 | 3.3 | COc1ccc(C2CCC(OCC#Cc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37116 | 133051 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 339 | 5 | 0 | 5 | 3.3 | COc1ccc(C2CCC(OCC#Cc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44284380 | 122791 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccccc2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL36154 | 122791 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccccc2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| 9971461 | 203294 | 6 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 290 | 1 | 0 | 4 | 3.0 | C1=C(c2ccc3c(c2)OCO3)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL76778 | 203294 | 6 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 290 | 1 | 0 | 4 | 3.0 | C1=C(c2ccc3c(c2)OCO3)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 10470867 | 167358 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 314 | 1 | 0 | 2 | 4.3 | FC(F)(F)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1 | 10.1021/jm00002a004 | ||
| CHEMBL431400 | 167358 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 314 | 1 | 0 | 2 | 4.3 | FC(F)(F)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1 | 10.1021/jm00002a004 | ||
| 10604738 | 79096 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 698 | 15 | 2 | 9 | 8.1 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1c(F)c(F)cc(F)c1F | 10.1021/jm980046r | ||
| CHEMBL2113725 | 79096 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 698 | 15 | 2 | 9 | 8.1 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1c(F)c(F)cc(F)c1F | 10.1021/jm980046r | ||
| 14347334 | 100776 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 442 | 11 | 1 | 4 | 5.2 | COc1cccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2cccc(OC)c2)c1 | 10.1021/jm00128a026 | ||
| CHEMBL296149 | 100776 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 442 | 11 | 1 | 4 | 5.2 | COc1cccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2cccc(OC)c2)c1 | 10.1021/jm00128a026 | ||
| 14347380 | 196711 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 426 | 10 | 1 | 3 | 5.6 | COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL57676 | 196711 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 426 | 10 | 1 | 3 | 5.6 | COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1 | 10.1021/jm00128a026 | ||
| 14851873 | 98495 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3c(=O)ccc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL279665 | 98495 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3c(=O)ccc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 10668473 | 49166 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 396 | 6 | 1 | 5 | 2.6 | O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1 | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL156461 | 49166 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 396 | 6 | 1 | 5 | 2.6 | O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1 | 10.1016/S0960-894X(01)81205-1 | ||
| 10746928 | 79098 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 660 | 15 | 2 | 9 | 8.2 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1 | 10.1021/jm980046r | ||
| CHEMBL2113727 | 79098 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 660 | 15 | 2 | 9 | 8.2 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1 | 10.1021/jm980046r | ||
| 15084160 | 99640 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 6 | 5.4 | Cc1nnc2n1-c1sc(CCc3ccc4c(c3)CCO4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL287465 | 99640 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 6 | 5.4 | Cc1nnc2n1-c1sc(CCc3ccc4c(c3)CCO4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084159 | 99871 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 458 | 4 | 0 | 5 | 5.9 | Cc1nnc2n1-c1sc(CCc3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL289463 | 99871 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 458 | 4 | 0 | 5 | 5.9 | Cc1nnc2n1-c1sc(CCc3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 14851899 | 109985 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 410 | 1 | 0 | 5 | 4.9 | Cc1nnc2n1-c1sc(C#C[Si](C)(C)C)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32475 | 109985 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 410 | 1 | 0 | 5 | 4.9 | Cc1nnc2n1-c1sc(C#C[Si](C)(C)C)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 6917920 | 100979 | 2 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00160a020 | ||
| CHEMBL297624 | 100979 | 2 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00160a020 | ||
| 44284535 | 118245 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 427 | 9 | 0 | 8 | 4.1 | COc1cc(C2CCC(OCCCn3c(C)nc4cnccc43)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL34182 | 118245 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 427 | 9 | 0 | 8 | 4.1 | COc1cc(C2CCC(OCCCn3c(C)nc4cnccc43)O2)cc(OC)c1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 14347392 | 161560 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 432 | 10 | 1 | 3 | 6.1 | COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL416124 | 161560 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 432 | 10 | 1 | 3 | 6.1 | COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1 | 10.1021/jm00128a026 | ||
| 14347393 | 192830 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 432 | 10 | 1 | 3 | 6.1 | COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL52616 | 192830 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 432 | 10 | 1 | 3 | 6.1 | COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1 | 10.1021/jm00128a026 | ||
| 14347330 | 192919 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 9 | 1 | 2 | 5.5 | O=C(/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL52834 | 192919 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 9 | 1 | 2 | 5.5 | O=C(/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 14570083 | 188730 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 374 | 8 | 1 | 3 | 4.9 | COc1cccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)c1 | 10.1021/jm00128a025 | ||
| CHEMBL51238 | 188730 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 374 | 8 | 1 | 3 | 4.9 | COc1cccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)c1 | 10.1021/jm00128a025 | ||
| 14851837 | 72532 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 491 | 2 | 0 | 6 | 4.2 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20033 | 72532 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 491 | 2 | 0 | 6 | 4.2 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14894668 | 98494 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 2 | 0 | 5 | 4.4 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL279664 | 98494 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 2 | 0 | 5 | 4.4 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 13557487 | 33033 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 9 | 1 | 6 | 4.3 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cncnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL141825 | 33033 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 9 | 1 | 6 | 4.3 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cncnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00108a031 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00108a031 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00108a031 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00108a031 | ||
| 44283979 | 99802 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 351 | 6 | 0 | 3 | 5.2 | Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL288849 | 99802 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 351 | 6 | 0 | 3 | 5.2 | Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl | 10.1016/S0960-894X(00)80005-0 | ||
| 122159 | 100884 | 12 | None | - | 0 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| CHEMBL296958 | 100884 | 12 | None | - | 0 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| 44299968 | 195599 | 0 | None | - | 0 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc(C2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL56856 | 195599 | 0 | None | - | 0 | Guinea pig | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc(C2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00128a026 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00128a026 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00128a026 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00128a026 | ||
| 14347358 | 187858 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1ccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL50244 | 187858 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1ccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 14570086 | 190414 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 358 | 7 | 1 | 2 | 5.1 | Cc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1C | 10.1021/jm00128a025 | ||
| CHEMBL51867 | 190414 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 358 | 7 | 1 | 2 | 5.1 | Cc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1C | 10.1021/jm00128a025 | ||
| 14570097 | 193053 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.8 | COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2[N+](=O)[O-])cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL53482 | 193053 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.8 | COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2[N+](=O)[O-])cc1OC | 10.1021/jm00128a025 | ||
| 14570095 | 193065 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.4 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2[N+](=O)[O-])cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL53534 | 193065 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.4 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2[N+](=O)[O-])cc1OC | 10.1021/jm00128a025 | ||
| 14570093 | 193098 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 466 | 10 | 1 | 4 | 6.2 | COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2cccc(OC)c2)c1 | 10.1021/jm00128a025 | ||
| CHEMBL53808 | 193098 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 466 | 10 | 1 | 4 | 6.2 | COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2cccc(OC)c2)c1 | 10.1021/jm00128a025 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00107a048 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00107a048 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00107a048 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00107a048 | ||
| 14851920 | 98422 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 529 | 2 | 0 | 5 | 5.1 | O=C1CCc2ccccc2N1CC#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nnc(C(F)(F)F)n1-2 | 10.1021/jm00107a048 | ||
| CHEMBL279084 | 98422 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 529 | 2 | 0 | 5 | 5.1 | O=C1CCc2ccccc2N1CC#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nnc(C(F)(F)F)n1-2 | 10.1021/jm00107a048 | ||
| 44284130 | 137880 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 313 | 7 | 0 | 4 | 3.9 | COc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37735 | 137880 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 313 | 7 | 0 | 4 | 3.9 | COc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 10594020 | 106433 | 0 | None | - | 0 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 3.0 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@H](O)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL314708 | 106433 | 0 | None | - | 0 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 350 | 4 | 1 | 5 | 3.0 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CC[C@H](O)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 10831597 | 204881 | 0 | None | - | 0 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 348 | 4 | 0 | 4 | 4.3 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL89018 | 204881 | 0 | None | - | 0 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 348 | 4 | 0 | 4 | 4.3 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1CCOC1=O | 10.1021/jm970569j | ||
| 44284483 | 138173 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 0 | 6 | 5.8 | COc1ccc(C2CCC(OCc3ccc(Cn4c(C)nc5ccccc54)cc3)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL37792 | 138173 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 0 | 6 | 5.8 | COc1ccc(C2CCC(OCc3ccc(Cn4c(C)nc5ccccc54)cc3)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 10532787 | 79094 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 704 | 15 | 2 | 9 | 8.3 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Br)cc1 | 10.1021/jm980046r | ||
| CHEMBL2113723 | 79094 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 704 | 15 | 2 | 9 | 8.3 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Br)cc1 | 10.1021/jm980046r | ||
| 44296856 | 101496 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 366 | 7 | 1 | 2 | 4.8 | O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(F)c2)c(F)c1 | 10.1021/jm00128a025 | ||
| CHEMBL301388 | 101496 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 366 | 7 | 1 | 2 | 4.8 | O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(F)c2)c(F)c1 | 10.1021/jm00128a025 | ||
| 10519896 | 106600 | 0 | None | - | 0 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 322 | 6 | 3 | 3 | 3.4 | C=C1CCC2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(=C/CO)CO | 10.1021/jm970569j | ||
| CHEMBL315854 | 106600 | 0 | None | - | 0 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 322 | 6 | 3 | 3 | 3.4 | C=C1CCC2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(=C/CO)CO | 10.1021/jm970569j | ||
| 10508960 | 79093 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 704 | 15 | 2 | 9 | 8.3 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1cccc(Br)c1 | 10.1021/jm980046r | ||
| CHEMBL2113722 | 79093 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 704 | 15 | 2 | 9 | 8.3 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1cccc(Br)c1 | 10.1021/jm980046r | ||
| 14964714 | 108135 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 454 | 7 | 0 | 5 | 5.5 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NC(C)CN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL320609 | 108135 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 454 | 7 | 0 | 5 | 5.5 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NC(C)CN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 14570098 | 192838 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 468 | 9 | 1 | 4 | 5.3 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2Br)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL52636 | 192838 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 468 | 9 | 1 | 4 | 5.3 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2Br)cc1OC | 10.1021/jm00128a025 | ||
| 11724601 | 203751 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 336 | 1 | 0 | 2 | 5.2 | CC(C)(C)c1ccc(C2=Cc3cc(Cl)ccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL80443 | 203751 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 336 | 1 | 0 | 2 | 5.2 | CC(C)(C)c1ccc(C2=Cc3cc(Cl)ccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 10063751 | 105202 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 306 | 3 | 0 | 4 | 3.3 | COc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1OC | 10.1021/jm00002a004 | ||
| CHEMBL312567 | 105202 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 306 | 3 | 0 | 4 | 3.3 | COc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1OC | 10.1021/jm00002a004 | ||
| 10628536 | 79092 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 704 | 15 | 2 | 9 | 8.3 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccccc1Br | 10.1021/jm980046r | ||
| CHEMBL2113721 | 79092 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 704 | 15 | 2 | 9 | 8.3 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccccc1Br | 10.1021/jm980046r | ||
| 44284128 | 99154 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 301 | 6 | 0 | 3 | 4.0 | Fc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL284078 | 99154 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 301 | 6 | 0 | 3 | 4.0 | Fc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 44322316 | 205111 | 0 | None | - | 0 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 332 | 4 | 1 | 3 | 4.1 | C=C1CCC2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL90504 | 205111 | 0 | None | - | 0 | Guinea pig | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 332 | 4 | 1 | 3 | 4.1 | C=C1CCC2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 44399185 | 123545 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 350 | 0 | 2 | 5 | 2.3 | C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL363216 | 123545 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 350 | 0 | 2 | 5 | 2.3 | C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 | 10.1016/j.bmcl.2005.04.048 | ||
| 6917920 | 100979 | 2 | None | -1 | 2 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm950640q | ||
| CHEMBL297624 | 100979 | 2 | None | -1 | 2 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm950640q | ||
| 44329214 | 206236 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 450 | 12 | 1 | 4 | 6.6 | CCCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)sc2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| CHEMBL97176 | 206236 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 450 | 12 | 1 | 4 | 6.6 | CCCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)sc2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| 122159 | 100884 | 12 | None | - | 0 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| CHEMBL296958 | 100884 | 12 | None | - | 0 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 356 | 6 | 0 | 5 | 3.8 | C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| 10723685 | 79105 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 736 | 15 | 2 | 10 | 7.0 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1Br | 10.1021/jm980046r | ||
| CHEMBL2113733 | 79105 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 736 | 15 | 2 | 10 | 7.0 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1Br | 10.1021/jm980046r | ||
| 44372435 | 53365 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 12 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160290 | 53365 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 12 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 14347405 | 192954 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 364 | 9 | 1 | 3 | 4.6 | COc1ccc(/C(C)=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL52966 | 192954 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 364 | 9 | 1 | 3 | 4.6 | COc1ccc(/C(C)=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1 | 10.1021/jm00128a026 | ||
| 44284580 | 118747 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 4.0 | COc1ccc([C@@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL34361 | 118747 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 4.0 | COc1ccc([C@@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 14347367 | 100534 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 5.4 | COc1cccc(/C(=C\C=C\C(=O)NCCCCc2cccnc2)c2cccc(F)c2)c1 | 10.1021/jm00128a026 | ||
| CHEMBL294387 | 100534 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 5.4 | COc1cccc(/C(=C\C=C\C(=O)NCCCCc2cccnc2)c2cccc(F)c2)c1 | 10.1021/jm00128a026 | ||
| 14347340 | 192999 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 450 | 9 | 1 | 2 | 6.5 | O=C(/C=C/C=C(c1cccc(Cl)c1)c1cccc(Cl)c1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL53149 | 192999 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 450 | 9 | 1 | 2 | 6.5 | O=C(/C=C/C=C(c1cccc(Cl)c1)c1cccc(Cl)c1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 14347337 | 193206 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 442 | 11 | 1 | 4 | 5.2 | COc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL54029 | 193206 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 442 | 11 | 1 | 4 | 5.2 | COc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44273467 | 76444 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 557 | 4 | 0 | 8 | 4.7 | COc1cc2c(cc1OC)C(=O)N(CC#Cc1cc3c(s1)-n1c(C)nnc1CN=C3c1ccccc1Cl)CC2 | 10.1021/jm00107a048 | ||
| CHEMBL20691 | 76444 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 557 | 4 | 0 | 8 | 4.7 | COc1cc2c(cc1OC)C(=O)N(CC#Cc1cc3c(s1)-n1c(C)nnc1CN=C3c1ccccc1Cl)CC2 | 10.1021/jm00107a048 | ||
| 14851892 | 98363 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 545 | 2 | 0 | 7 | 6.2 | Cc1nnc2n1-c1sc(C#CCn3c4ccccc4c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL278635 | 98363 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 545 | 2 | 0 | 7 | 6.2 | Cc1nnc2n1-c1sc(C#CCn3c4ccccc4c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851915 | 98907 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 2 | 1 | 8 | 5.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2O | 10.1021/jm00107a048 | ||
| CHEMBL282495 | 98907 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 561 | 2 | 1 | 8 | 5.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2O | 10.1021/jm00107a048 | ||
| 13557496 | 195174 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 400 | 6 | 1 | 5 | 3.6 | Cc1cc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2cc1C | 10.1021/jm00397a034 | ||
| CHEMBL56588 | 195174 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 400 | 6 | 1 | 5 | 3.6 | Cc1cc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2cc1C | 10.1021/jm00397a034 | ||
| 13557504 | 196890 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.5 | CC(CCCc1cccnc1)NC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| CHEMBL57825 | 196890 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.5 | CC(CCCc1cccnc1)NC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| 14851905 | 99294 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 415 | 1 | 0 | 6 | 4.4 | Cc1nnc2n1-c1sc(C#Cc3ccccn3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL285035 | 99294 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 415 | 1 | 0 | 6 | 4.4 | Cc1nnc2n1-c1sc(C#Cc3ccccn3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15965493 | 205065 | 0 | None | - | 0 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 346 | 4 | 0 | 4 | 4.2 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL90271 | 205065 | 0 | None | - | 0 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 346 | 4 | 0 | 4 | 4.2 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 14547300 | 193220 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.4 | COc1ccc(C(=C/C=C/C(=O)NCCOCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL54068 | 193220 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.4 | COc1ccc(C(=C/C=C/C(=O)NCCOCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44284397 | 99533 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 361 | 8 | 0 | 7 | 3.2 | COc1ccc(C2CCC(OCCCn3c(C)nnc3C)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL286696 | 99533 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 361 | 8 | 0 | 7 | 3.2 | COc1ccc(C2CCC(OCCCn3c(C)nnc3C)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 14347351 | 101413 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL300742 | 101413 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm00128a026 | ||
| 14347362 | 170773 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 424 | 9 | 1 | 2 | 6.2 | Cc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(C)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL446140 | 170773 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 424 | 9 | 1 | 2 | 6.2 | Cc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(C)cc2)cc1 | 10.1021/jm00128a026 | ||
| 14347349 | 192945 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1 | 10.1021/jm00128a026 | ||
| CHEMBL52933 | 192945 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1 | 10.1021/jm00128a026 | ||
| 14347435 | 193236 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 9 | 1 | 4 | 6.3 | COc1ccc(C(=C/C=C/C(=O)Nc2ccc(Cc3cccnc3)cc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL54106 | 193236 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 9 | 1 | 4 | 6.3 | COc1ccc(C(=C/C=C/C(=O)Nc2ccc(Cc3cccnc3)cc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 14851929 | 73279 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 559 | 2 | 0 | 7 | 6.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2C | 10.1021/jm00107a048 | ||
| CHEMBL20178 | 73279 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 559 | 2 | 0 | 7 | 6.7 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)=NC2C | 10.1021/jm00107a048 | ||
| 13557456 | 162635 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 3.3 | CC(C)c1ccc2nc3ccc(C(=O)NCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL418141 | 162635 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 3.3 | CC(C)c1ccc2nc3ccc(C(=O)NCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 44283822 | 138817 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 351 | 6 | 0 | 3 | 5.2 | Clc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37929 | 138817 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 351 | 6 | 0 | 3 | 5.2 | Clc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl | 10.1016/S0960-894X(00)80005-0 | ||
| 44283860 | 100063 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 315 | 6 | 0 | 5 | 3.5 | COc1ccc(C2CCC(OCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL291293 | 100063 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 315 | 6 | 0 | 5 | 3.5 | COc1ccc(C2CCC(OCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44372545 | 48493 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 10 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155851 | 48493 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 10 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10714683 | 40503 | 0 | None | - | 0 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 378 | 2 | 0 | 5 | 4.7 | COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O | 10.1021/jm950640q | ||
| CHEMBL148491 | 40503 | 0 | None | - | 0 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 378 | 2 | 0 | 5 | 4.7 | COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O | 10.1021/jm950640q | ||
| 44329180 | 107485 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 461 | 13 | 1 | 4 | 6.2 | CCCCCc1c(/C=C/C(=O)N[C@@H](CC)CCCc2cccnc2)n(C)c2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| CHEMBL319384 | 107485 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 461 | 13 | 1 | 4 | 6.2 | CCCCCc1c(/C=C/C(=O)N[C@@H](CC)CCCc2cccnc2)n(C)c2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| 15084136 | 99630 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 1 | 0 | 7 | 2.9 | Cc1nnc2n1-c1sc(C#CC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL287380 | 99630 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 1 | 0 | 7 | 2.9 | Cc1nnc2n1-c1sc(C#CC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 9997895 | 204588 | 0 | None | - | 0 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 348 | 4 | 0 | 5 | 3.2 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL87164 | 204588 | 0 | None | - | 0 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 348 | 4 | 0 | 5 | 3.2 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)[C@@H]2CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 10807790 | 167247 | 0 | None | - | 0 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 350 | 4 | 0 | 5 | 3.3 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)[C@@H]2CCC1CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL430638 | 167247 | 0 | None | - | 0 | Guinea pig | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 350 | 4 | 0 | 5 | 3.3 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)[C@@H]2CCC1CCOC1=O | 10.1021/jm970569j | ||
| 14347352 | 101282 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL299780 | 101282 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 9 | 1 | 2 | 5.9 | C[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm00128a026 | ||
| 23214200 | 48639 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 558 | 11 | 2 | 8 | 6.7 | CCCOc1c(NC(=O)N(O)C2CCCCC2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155975 | 48639 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 558 | 11 | 2 | 8 | 6.7 | CCCOc1c(NC(=O)N(O)C2CCCCC2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 71716054 | 85574 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 548 | 3 | 2 | 10 | 1.5 | C[C@@H]1C(=O)O[C@H]2[C@H](OCc3ccc(Cl)cc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| CHEMBL2304168 | 85574 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 548 | 3 | 2 | 10 | 1.5 | C[C@@H]1C(=O)O[C@H]2[C@H](OCc3ccc(Cl)cc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| 14570080 | 160774 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 4.5 | COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1 | 10.1021/jm00128a025 | ||
| CHEMBL412441 | 160774 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 4.5 | COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1 | 10.1021/jm00128a025 | ||
| 10066158 | 104415 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 345 | 3 | 0 | 4 | 3.1 | C1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL311227 | 104415 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 345 | 3 | 0 | 4 | 3.1 | C1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 10628732 | 79104 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 730 | 15 | 2 | 10 | 6.7 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1c(F)c(F)cc(F)c1F | 10.1021/jm980046r | ||
| CHEMBL2113732 | 79104 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 730 | 15 | 2 | 10 | 6.7 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1c(F)c(F)cc(F)c1F | 10.1021/jm980046r | ||
| 18639456 | 206694 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 12 | 1 | 4 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccc(OC)cc12 | 10.1021/jm00172a029 | ||
| CHEMBL99924 | 206694 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 12 | 1 | 4 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccc(OC)cc12 | 10.1021/jm00172a029 | ||
| 44284532 | 118997 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 7 | 0 | 6 | 4.7 | COc1ccc(C2CCC(OCCCn3c(C)nc4cnccc43)O2)cc1Cl | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL34548 | 118997 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 7 | 0 | 6 | 4.7 | COc1ccc(C2CCC(OCCCn3c(C)nc4cnccc43)O2)cc1Cl | 10.1016/S0960-894X(00)80006-2 | ||
| 14851881 | 73067 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 444 | 3 | 0 | 6 | 5.1 | Cc1nnc2n1-c1sc(C#CCOc3ccccc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20163 | 73067 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 444 | 3 | 0 | 6 | 5.1 | Cc1nnc2n1-c1sc(C#CCOc3ccccc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851861 | 166589 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 2 | 0 | 6 | 4.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)Cc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL429066 | 166589 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 2 | 0 | 6 | 4.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)Cc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44372410 | 53285 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 476 | 10 | 3 | 8 | 4.6 | CCCOc1c(NC(=O)NO)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160218 | 53285 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 476 | 10 | 3 | 8 | 4.6 | CCCOc1c(NC(=O)NO)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10695884 | 111859 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 5 | 6.6 | Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32942 | 111859 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 6 | 0 | 5 | 6.6 | Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 14347407 | 101292 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 10 | 1 | 3 | 5.0 | CC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL299856 | 101292 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 10 | 1 | 3 | 5.0 | CC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14547297 | 193212 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 11 | 1 | 4 | 5.9 | COc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2cccnc2C)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL54046 | 193212 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 11 | 1 | 4 | 5.9 | COc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2cccnc2C)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44328857 | 206447 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 10 | 1 | 4 | 5.9 | COc1ccc(C2=C(/C=C/C(=O)N[C@@H](C)CCCc3cccnc3)CCc3cc(OC)ccc32)cc1 | 10.1021/jm00172a029 | ||
| CHEMBL98401 | 206447 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 10 | 1 | 4 | 5.9 | COc1ccc(C2=C(/C=C/C(=O)N[C@@H](C)CCCc3cccnc3)CCc3cc(OC)ccc32)cc1 | 10.1021/jm00172a029 | ||
| 14347403 | 189708 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 350 | 9 | 1 | 3 | 4.2 | COc1ccc(/C=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL51760 | 189708 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 350 | 9 | 1 | 3 | 4.2 | COc1ccc(/C=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1 | 10.1021/jm00128a026 | ||
| 44273330 | 74175 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 5 | 0 | 9 | 4.4 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(CCN(C)C)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20293 | 74175 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 5 | 0 | 9 | 4.4 | Cc1nnc2n1-c1sc(C#CCn3c(=O)n(CCN(C)C)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851893 | 98526 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 2 | 0 | 7 | 7.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4cc(Cl)ccc4c4ccc(Cl)cc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL279893 | 98526 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 2 | 0 | 7 | 7.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4cc(Cl)ccc4c4ccc(Cl)cc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44284466 | 162715 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 5 | 0 | 4 | 4.3 | Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL418608 | 162715 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 5 | 0 | 4 | 4.3 | Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| 44372410 | 53285 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 10 | 3 | 8 | 4.6 | CCCOc1c(NC(=O)NO)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160218 | 53285 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 10 | 3 | 8 | 4.6 | CCCOc1c(NC(=O)NO)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 2451 | 109995 | 29 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL32479 | 109995 | 29 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084148 | 116443 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 496 | 2 | 0 | 5 | 7.1 | Cc1nnc2n1-c1sc(C#Cc3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL33857 | 116443 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 496 | 2 | 0 | 5 | 7.1 | Cc1nnc2n1-c1sc(C#Cc3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44283848 | 99255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc(C2CCC(OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL284773 | 99255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc(C2CCC(OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44283998 | 138993 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 7 | 0 | 5 | 4.0 | COc1ccc(C2CCC(OC/C=C/c3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37952 | 138993 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 341 | 7 | 0 | 5 | 4.0 | COc1ccc(C2CCC(OC/C=C/c3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 14347355 | 167424 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1cccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)c2cccc(OC)c2)c1 | 10.1021/jm00128a026 | ||
| CHEMBL431923 | 167424 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1cccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)c2cccc(OC)c2)c1 | 10.1021/jm00128a026 | ||
| 14347373 | 193256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.7 | COc1ccc(C(=C/C=C/C(=O)NCCCOc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL54163 | 193256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.7 | COc1ccc(C(=C/C=C/C(=O)NCCCOc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44284466 | 162715 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 5 | 0 | 4 | 4.3 | Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL418608 | 162715 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 5 | 0 | 4 | 4.3 | Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | 10.1016/S0960-894X(00)80006-2 | ||
| 14570085 | 161785 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 7 | 2 | 3 | 4.2 | O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(O)c2)cc1 | 10.1021/jm00128a025 | ||
| CHEMBL416480 | 161785 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 7 | 2 | 3 | 4.2 | O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(O)c2)cc1 | 10.1021/jm00128a025 | ||
| 14570101 | 191503 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 10 | 1 | 5 | 4.5 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2OC)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL52031 | 191503 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 10 | 1 | 5 | 4.5 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2OC)cc1OC | 10.1021/jm00128a025 | ||
| 14894754 | 73564 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 461 | 2 | 0 | 6 | 4.0 | Cc1nnc2nc(-c3ccccc3F)c3cc(C#CCN4C(=O)c5ccccc5C4=O)ccc3n12 | 10.1021/jm00107a048 | ||
| CHEMBL20196 | 73564 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 461 | 2 | 0 | 6 | 4.0 | Cc1nnc2nc(-c3ccccc3F)c3cc(C#CCN4C(=O)c5ccccc5C4=O)ccc3n12 | 10.1021/jm00107a048 | ||
| 44283917 | 11074 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 3.4 | COc1ccc([C@@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL1178599 | 11074 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 3.4 | COc1ccc([C@@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL34063 | 11074 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 3.4 | COc1ccc([C@@H]2CC[C@@H](OCCCc3ccc[n+](C)c3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44283756 | 161621 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 371 | 10 | 0 | 5 | 4.7 | COc1ccc(C2CCC(OCCCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL416232 | 161621 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 371 | 10 | 0 | 5 | 4.7 | COc1ccc(C2CCC(OCCCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 10734343 | 111006 | 0 | None | - | 0 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 4.0 | C=C1CCC2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL327771 | 111006 | 0 | None | - | 0 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 4.0 | C=C1CCC2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O | 10.1021/jm970569j | ||
| 44366271 | 121122 | 0 | None | - | 0 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 336 | 1 | 1 | 4 | 3.1 | C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2CO | 10.1021/jm950640q | ||
| CHEMBL358635 | 121122 | 0 | None | - | 0 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 336 | 1 | 1 | 4 | 3.1 | C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2CO | 10.1021/jm950640q | ||
| 10715382 | 43311 | 0 | None | - | 0 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 3 | 1 | 5 | 4.8 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H](O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COc1ccon1 | 10.1021/jm950640q | ||
| CHEMBL150892 | 43311 | 0 | None | - | 0 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 3 | 1 | 5 | 4.8 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H](O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COc1ccon1 | 10.1021/jm950640q | ||
| 10381070 | 203505 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 1 | 0 | 2 | 4.9 | Cc1ccc2c(c1)C1=NCCN1C(c1ccc(C(C)(C)C)cc1)=C2 | 10.1021/jm00002a004 | ||
| CHEMBL78624 | 203505 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 1 | 0 | 2 | 4.9 | Cc1ccc2c(c1)C1=NCCN1C(c1ccc(C(C)(C)C)cc1)=C2 | 10.1021/jm00002a004 | ||
| 9936894 | 197636 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 6.1 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC | 10.1021/jm980046r | ||
| CHEMBL59051 | 197636 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 6.1 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC | 10.1021/jm980046r | ||
| 23214264 | 119114 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 6.1 | CCCCN(O)C(=O)Nc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL346538 | 119114 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 6.1 | CCCCN(O)C(=O)Nc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 44329213 | 206224 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 432 | 12 | 1 | 3 | 6.1 | CCCCCC1=C(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)Cc2cc(OC)ccc21 | 10.1021/jm00172a029 | ||
| CHEMBL97120 | 206224 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 432 | 12 | 1 | 3 | 6.1 | CCCCCC1=C(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)Cc2cc(OC)ccc21 | 10.1021/jm00172a029 | ||
| 10833543 | 39321 | 0 | None | - | 0 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.6 | CCC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O | 10.1021/jm950640q | ||
| CHEMBL147337 | 39321 | 0 | None | - | 0 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.6 | CCC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O | 10.1021/jm950640q | ||
| 10314059 | 163528 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 322 | 2 | 0 | 2 | 4.9 | C1=C(c2ccc(-c3ccccc3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL420943 | 163528 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 322 | 2 | 0 | 2 | 4.9 | C1=C(c2ccc(-c3ccccc3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 15084157 | 167548 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 5 | 0 | 5 | 7.5 | Cc1nnc2n1-c1sc(CCc3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL432850 | 167548 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 5 | 0 | 5 | 7.5 | Cc1nnc2n1-c1sc(CCc3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 14347354 | 101561 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1cccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2cccc(OC)c2)c1 | 10.1021/jm00128a026 | ||
| CHEMBL301797 | 101561 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1cccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2cccc(OC)c2)c1 | 10.1021/jm00128a026 | ||
| 13557460 | 196777 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 414 | 7 | 1 | 5 | 4.1 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL57736 | 196777 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 414 | 7 | 1 | 5 | 4.1 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 145955 | 194966 | 4 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 403 | 7 | 1 | 6 | 3.4 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCn4ccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL56434 | 194966 | 4 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 403 | 7 | 1 | 6 | 3.4 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCn4ccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 14964724 | 5139 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 452 | 7 | 0 | 5 | 6.3 | COc1cc(CCc2ccc(-c3cc4ccccc4c4nc(C)cn34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL106163 | 5139 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 452 | 7 | 0 | 5 | 6.3 | COc1cc(CCc2ccc(-c3cc4ccccc4c4nc(C)cn34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 2812 | 4711 | 96 | None | -69 | 34 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -69 | 34 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 44273372 | 76920 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 485 | 2 | 0 | 7 | 4.2 | Cc1nnc2n1-c1sc(I)cc1C(c1cc([N+](=O)[O-])ccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20808 | 76920 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 485 | 2 | 0 | 7 | 4.2 | Cc1nnc2n1-c1sc(I)cc1C(c1cc([N+](=O)[O-])ccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 2753 | 118845 | 62 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 342 | 6 | 1 | 4 | 3.9 | CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 | nan | ||
| CHEMBL34431 | 118845 | 62 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 342 | 6 | 1 | 4 | 3.9 | CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 | nan | ||
| 13557494 | 194943 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 402 | 7 | 1 | 6 | 3.0 | COc1ccc2c(=O)n3cc(C(=O)NCCCCc4cccnc4)ccc3nc2c1 | 10.1021/jm00397a034 | ||
| CHEMBL56418 | 194943 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 402 | 7 | 1 | 6 | 3.0 | COc1ccc2c(=O)n3cc(C(=O)NCCCCc4cccnc4)ccc3nc2c1 | 10.1021/jm00397a034 | ||
| 14851924 | 74718 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 440 | 1 | 0 | 5 | 4.2 | Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL20359 | 74718 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 440 | 1 | 0 | 5 | 4.2 | Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 14851924 | 74718 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 440 | 1 | 0 | 5 | 4.2 | Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20359 | 74718 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 440 | 1 | 0 | 5 | 4.2 | Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 10103 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1021/jm058225d | ||
| 133017 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1021/jm058225d | ||
| 2413 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1021/jm058225d | ||
| CHEMBL91397 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1021/jm058225d | ||
| DB11614 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1021/jm058225d | ||
| 10265702 | 203512 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL78668 | 203512 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 10700170 | 79097 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 736 | 15 | 2 | 10 | 7.0 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccc(Br)cc1 | 10.1021/jm980046r | ||
| CHEMBL2113726 | 79097 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 736 | 15 | 2 | 10 | 7.0 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccc(Br)cc1 | 10.1021/jm980046r | ||
| 15084149 | 99181 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 454 | 1 | 0 | 5 | 5.5 | Cc1nnc2n1-c1sc(C#Cc3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL284280 | 99181 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 454 | 1 | 0 | 5 | 5.5 | Cc1nnc2n1-c1sc(C#Cc3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 23214230 | 119199 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 504 | 11 | 2 | 8 | 5.3 | CCCOc1c(NC(=O)N(O)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL347382 | 119199 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 504 | 11 | 2 | 8 | 5.3 | CCCOc1c(NC(=O)N(O)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10842032 | 79102 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 656 | 16 | 2 | 10 | 7.5 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(OC)cc1 | 10.1021/jm980046r | ||
| CHEMBL2113730 | 79102 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 656 | 16 | 2 | 10 | 7.5 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(OC)cc1 | 10.1021/jm980046r | ||
| 14347379 | 192944 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 426 | 10 | 1 | 3 | 5.6 | COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL52925 | 192944 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 426 | 10 | 1 | 3 | 5.6 | COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1 | 10.1021/jm00128a026 | ||
| 14570112 | 189282 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 460 | 12 | 1 | 4 | 6.3 | CCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| CHEMBL51692 | 189282 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 460 | 12 | 1 | 4 | 6.3 | CCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| 14570105 | 192966 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 5.5 | CCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| CHEMBL53001 | 192966 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 5.5 | CCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| 14851885 | 74078 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 499 | 2 | 0 | 7 | 5.2 | Cc1nnc2n1-c1sc(C#CCN3C(=O)OCc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20267 | 74078 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 499 | 2 | 0 | 7 | 5.2 | Cc1nnc2n1-c1sc(C#CCN3C(=O)OCc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851890 | 75084 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 517 | 2 | 0 | 7 | 4.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4cc(F)ccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20418 | 75084 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 517 | 2 | 0 | 7 | 4.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4cc(F)ccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851875 | 98571 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 2 | 0 | 6 | 5.8 | Cc1nnc2n1-c1sc(C#CCN3Cc4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL280210 | 98571 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 2 | 0 | 6 | 5.8 | Cc1nnc2n1-c1sc(C#CCN3Cc4cccc5cccc(c45)C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273429 | 99052 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 445 | 3 | 0 | 7 | 4.5 | Cc1nnc2n1-c1sc(C#CCOc3cccnc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL283339 | 99052 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 445 | 3 | 0 | 7 | 4.5 | Cc1nnc2n1-c1sc(C#CCOc3cccnc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 6439060 | 98192 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL277245 | 98192 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| 14964717 | 5208 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 7 | 0 | 5 | 5.5 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL106521 | 5208 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 7 | 0 | 5 | 5.5 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 159547 | 3513 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 10.1016/S0960-894X(00)80005-0 | ||
| 1855 | 3513 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL449395 | 3513 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 10.1016/S0960-894X(00)80005-0 | ||
| 6439060 | 98192 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL277245 | 98192 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14347397 | 101356 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 392 | 10 | 1 | 3 | 5.2 | COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C(C)C)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL300299 | 101356 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 392 | 10 | 1 | 3 | 5.2 | COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C(C)C)cc1 | 10.1021/jm00128a026 | ||
| 14347368 | 192958 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 5.4 | COc1cccc(/C(=C/C=C/C(=O)NCCCCc2cccnc2)c2cccc(F)c2)c1 | 10.1021/jm00128a026 | ||
| CHEMBL52971 | 192958 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 5.4 | COc1cccc(/C(=C/C=C/C(=O)NCCCCc2cccnc2)c2cccc(F)c2)c1 | 10.1021/jm00128a026 | ||
| 14347399 | 205994 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00172a029 | ||
| CHEMBL95720 | 205994 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00172a029 | ||
| 44328877 | 206004 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 12 | 1 | 4 | 6.1 | CCCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)oc2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| CHEMBL95765 | 206004 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 12 | 1 | 4 | 6.1 | CCCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)oc2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| 14347332 | 161448 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 9 | 1 | 2 | 5.5 | O=C(/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL415940 | 161448 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 9 | 1 | 2 | 5.5 | O=C(/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 14347369 | 193096 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 442 | 11 | 1 | 4 | 5.2 | COc1ccccc1C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1OC | 10.1021/jm00128a026 | ||
| CHEMBL53804 | 193096 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 442 | 11 | 1 | 4 | 5.2 | COc1ccccc1C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1OC | 10.1021/jm00128a026 | ||
| 6439060 | 98192 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00107a048 | ||
| CHEMBL277245 | 98192 | 14 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 13 | 1 | 3 | 6.1 | CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00107a048 | ||
| 71720304 | 85573 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 544 | 5 | 2 | 11 | 0.8 | CC1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6OCOCc3ccccc3)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| CHEMBL2304167 | 85573 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 544 | 5 | 2 | 11 | 0.8 | CC1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6OCOCc3ccccc3)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| 13557507 | 34303 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.5 | CC(C)c1ccc2nc3ccc(C(=O)N[C@@H](C)CCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL142903 | 34303 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.5 | CC(C)c1ccc2nc3ccc(C(=O)N[C@@H](C)CCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 13557454 | 162582 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 4.9 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL417781 | 162582 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 4.9 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 44281731 | 99419 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 417 | 3 | 0 | 6 | 5.2 | Cc1nnc2n1-c1sc(/C=C\c3ccccn3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL285926 | 99419 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 417 | 3 | 0 | 6 | 5.2 | Cc1nnc2n1-c1sc(/C=C\c3ccccn3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084161 | 99483 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 0 | 6 | 6.4 | Cc1cc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc2c1OC(C)(C)C2 | 10.1021/jm00108a031 | ||
| CHEMBL286337 | 99483 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 0 | 6 | 6.4 | Cc1cc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc2c1OC(C)(C)C2 | 10.1021/jm00108a031 | ||
| 15084151 | 111843 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 498 | 1 | 0 | 6 | 6.1 | Cc1cc(C#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc2c1OC(C)(C)C2 | 10.1021/jm00108a031 | ||
| CHEMBL32932 | 111843 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 498 | 1 | 0 | 6 | 6.1 | Cc1cc(C#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc2c1OC(C)(C)C2 | 10.1021/jm00108a031 | ||
| 14547296 | 192943 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 12 | 1 | 4 | 6.0 | CC[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(OC)cc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL52924 | 192943 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 12 | 1 | 4 | 6.0 | CC[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(OC)cc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14347364 | 189303 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 9 | 1 | 2 | 5.2 | O=C(/C=C\C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL51696 | 189303 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 9 | 1 | 2 | 5.2 | O=C(/C=C\C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 14570087 | 188659 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 390 | 9 | 1 | 4 | 4.5 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL51170 | 188659 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 390 | 9 | 1 | 4 | 4.5 | COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| 44284129 | 99528 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 313 | 7 | 0 | 4 | 3.9 | COc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL286677 | 99528 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 313 | 7 | 0 | 4 | 3.9 | COc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 44283845 | 99582 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL287004 | 99582 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 8 | 0 | 5 | 3.9 | COc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 44283766 | 100038 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 6 | 0 | 3 | 4.7 | Brc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL291082 | 100038 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 6 | 0 | 3 | 4.7 | Brc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 44284141 | 136001 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 301 | 6 | 0 | 3 | 4.0 | Fc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37364 | 136001 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 301 | 6 | 0 | 3 | 4.0 | Fc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 44322220 | 106201 | 0 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 5 | 1 | 5 | 3.3 | COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(CO)CCC12 | 10.1021/jm970569j | ||
| CHEMBL314343 | 106201 | 0 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 5 | 1 | 5 | 3.3 | COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(CO)CCC12 | 10.1021/jm970569j | ||
| 11779704 | 162843 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 302 | 1 | 0 | 2 | 4.6 | CC(C)(C)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1 | 10.1021/jm00002a004 | ||
| CHEMBL419472 | 162843 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 302 | 1 | 0 | 2 | 4.6 | CC(C)(C)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1 | 10.1021/jm00002a004 | ||
| 10427163 | 203443 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 336 | 1 | 0 | 2 | 5.2 | CC(C)(C)c1ccc(C2=Cc3ccc(Cl)cc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL78137 | 203443 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 336 | 1 | 0 | 2 | 5.2 | CC(C)(C)c1ccc(C2=Cc3ccc(Cl)cc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 10808647 | 41280 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 362 | 2 | 0 | 4 | 4.5 | CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O | 10.1021/jm950640q | ||
| CHEMBL149102 | 41280 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 362 | 2 | 0 | 4 | 4.5 | CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O | 10.1021/jm950640q | ||
| 15084137 | 99317 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 483 | 4 | 1 | 9 | 2.6 | Cc1nnc2n1-c1sc(/C(CC(=O)N3CCOCC3)=N\N)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL285199 | 99317 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 483 | 4 | 1 | 9 | 2.6 | Cc1nnc2n1-c1sc(/C(CC(=O)N3CCOCC3)=N\N)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 15084150 | 119262 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 456 | 1 | 0 | 6 | 5.0 | Cc1nnc2n1-c1sc(C#Cc3ccc4c(c3)CCO4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL34796 | 119262 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 456 | 1 | 0 | 6 | 5.0 | Cc1nnc2n1-c1sc(C#Cc3ccc4c(c3)CCO4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 23214297 | 53228 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 566 | 12 | 2 | 8 | 6.5 | CCCOc1c(NC(=O)N(O)Cc2ccccc2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160148 | 53228 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 566 | 12 | 2 | 8 | 6.5 | CCCOc1c(NC(=O)N(O)Cc2ccccc2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10723353 | 79095 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 694 | 15 | 2 | 9 | 8.8 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)c(Cl)c1 | 10.1021/jm980046r | ||
| CHEMBL2113724 | 79095 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 694 | 15 | 2 | 9 | 8.8 | CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)c(Cl)c1 | 10.1021/jm980046r | ||
| 14851868 | 72416 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 489 | 3 | 0 | 6 | 4.1 | Cc1nnc2n1-c1ccc(C#CCCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL19991 | 72416 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 489 | 3 | 0 | 6 | 4.1 | Cc1nnc2n1-c1ccc(C#CCCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 13557486 | 100584 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 7 | 1 | 6 | 3.5 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4cncnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL294706 | 100584 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 7 | 1 | 6 | 3.5 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4cncnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 14850517 | 99299 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 3 | 0 | 7 | 3.5 | Cc1nnc2n1-c1sc(/C=C/C(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL285067 | 99299 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 3 | 0 | 7 | 3.5 | Cc1nnc2n1-c1sc(/C=C/C(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 14547222 | 193317 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 356 | 8 | 1 | 2 | 4.7 | O=C(C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL54709 | 193317 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 356 | 8 | 1 | 2 | 4.7 | O=C(C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 101749 | 162661 | 29 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL418309 | 162661 | 29 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| 11975378 | 195689 | 8 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL56917 | 195689 | 8 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| 443018 | 196554 | 12 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL57542 | 196554 | 12 | None | - | 0 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC | 10.1021/jm00160a020 | ||
| 44372545 | 48493 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 532 | 10 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155851 | 48493 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 532 | 10 | 2 | 8 | 6.1 | CCCOc1c(NC(=O)N(O)C(C)(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10060534 | 103508 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 247 | 1 | 0 | 3 | 2.7 | C1=C(c2ccncc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL309310 | 103508 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 247 | 1 | 0 | 3 | 2.7 | C1=C(c2ccncc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 10594033 | 204860 | 0 | None | - | 0 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 4 | 0 | 4 | 4.4 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(C)[C@@H]2CCC1CCOC1=O | 10.1021/jm970569j | ||
| CHEMBL88886 | 204860 | 0 | None | - | 0 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 4 | 0 | 4 | 4.4 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(C)[C@@H]2CCC1CCOC1=O | 10.1021/jm970569j | ||
| 14347413 | 161456 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 462 | 16 | 1 | 3 | 7.3 | CCCCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL415953 | 161456 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 462 | 16 | 1 | 3 | 7.3 | CCCCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 44284549 | 99180 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 405 | 6 | 0 | 5 | 5.3 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccc(Cl)c(Cl)c2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL284276 | 99180 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 405 | 6 | 0 | 5 | 5.3 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccc(Cl)c(Cl)c2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| 14570103 | 167291 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 9 | 1 | 4 | 4.9 | C#Cc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| CHEMBL430969 | 167291 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 9 | 1 | 4 | 4.9 | C#Cc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| 14570090 | 193070 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 406 | 8 | 1 | 2 | 6.2 | O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1 | 10.1021/jm00128a025 | ||
| CHEMBL53584 | 193070 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 406 | 8 | 1 | 2 | 6.2 | O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1 | 10.1021/jm00128a025 | ||
| 14851845 | 72290 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 477 | 2 | 0 | 6 | 3.8 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)COc4ccccc43)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL19947 | 72290 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 477 | 2 | 0 | 6 | 3.8 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)COc4ccccc43)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 14851908 | 73561 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 529 | 2 | 0 | 6 | 4.4 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nnc(C(F)(F)F)n1-2 | 10.1021/jm00107a048 | ||
| CHEMBL20194 | 73561 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 529 | 2 | 0 | 6 | 4.4 | O=C1c2ccccc2C(=O)N1CC#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nnc(C(F)(F)F)n1-2 | 10.1021/jm00107a048 | ||
| 14851860 | 73585 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 519 | 2 | 0 | 6 | 5.8 | Cc1nnc2n1-c1sc(C#CCN3C(=O)c4cccc5cccc3c45)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20208 | 73585 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 519 | 2 | 0 | 6 | 5.8 | Cc1nnc2n1-c1sc(C#CCN3C(=O)c4cccc5cccc3c45)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851884 | 77216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 2 | 0 | 7 | 5.1 | Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4ccc(Cl)cc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20877 | 77216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 2 | 0 | 7 | 5.1 | Cc1nnc2n1-c1sc(C#CCN3C(=O)COc4ccc(Cl)cc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851862 | 98168 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3cnc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL277029 | 98168 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 2 | 0 | 7 | 5.0 | Cc1nnc2n1-c1sc(C#CCn3cnc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851889 | 98635 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 497 | 2 | 0 | 6 | 4.7 | Cc1nnc2n1-c1sc(C#CCN3CCc4ccccc4C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL280683 | 98635 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 497 | 2 | 0 | 6 | 4.7 | Cc1nnc2n1-c1sc(C#CCN3CCc4ccccc4C3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1016/S0960-894X(01)81205-1 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1016/S0960-894X(01)81205-1 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1016/S0960-894X(01)81205-1 | ||
| 14964722 | 107976 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 5.0 | COc1cc(CCc2ccc(C3=Cc4oc(C)cc4C4=NCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL319921 | 107976 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 5.0 | COc1cc(CCc2ccc(C3=Cc4oc(C)cc4C4=NCCN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 10715262 | 119100 | 0 | None | - | 0 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 5.0 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COc1ccon1 | 10.1021/jm950640q | ||
| CHEMBL346391 | 119100 | 0 | None | - | 0 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 387 | 3 | 0 | 5 | 5.0 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COc1ccon1 | 10.1021/jm950640q | ||
| 14547302 | 190335 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 392 | 11 | 1 | 3 | 5.4 | CCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL51855 | 190335 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 392 | 11 | 1 | 3 | 5.4 | CCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14347360 | 193035 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 13 | 1 | 6 | 5.6 | COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC | 10.1021/jm00128a026 | ||
| CHEMBL53372 | 193035 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 13 | 1 | 6 | 5.6 | COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC | 10.1021/jm00128a026 | ||
| 14570092 | 101279 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 420 | 8 | 1 | 2 | 6.6 | C[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1 | 10.1021/jm00128a025 | ||
| CHEMBL299760 | 101279 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 420 | 8 | 1 | 2 | 6.6 | C[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1 | 10.1021/jm00128a025 | ||
| 14570109 | 167484 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 5.9 | CCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| CHEMBL432324 | 167484 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 5.9 | CCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| 14851921 | 98413 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 491 | 2 | 1 | 6 | 3.9 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=NC2O | 10.1021/jm00107a048 | ||
| CHEMBL279021 | 98413 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 491 | 2 | 1 | 6 | 3.9 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=NC2O | 10.1021/jm00107a048 | ||
| 13557472 | 101362 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Cc1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL300338 | 101362 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 5 | 3.3 | Cc1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 44370606 | 119046 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.8 | Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCCC2)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| CHEMBL345902 | 119046 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.8 | Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCCC2)cc1 | 10.1016/S0960-894X(01)81205-1 | ||
| 14964719 | 4850 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 482 | 7 | 0 | 5 | 6.1 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCC(C)(C)CN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL104631 | 4850 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 482 | 7 | 0 | 5 | 6.1 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCC(C)(C)CN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 13491509 | 100121 | 3 | None | - | 0 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 344 | 6 | 0 | 5 | 4.3 | COc1ccc([C@H]2CC[C@H](c3ccc(OC)c(OC)c3)O2)cc1OC | 10.1021/jm00160a020 | ||
| CHEMBL291668 | 100121 | 3 | None | - | 0 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 344 | 6 | 0 | 5 | 4.3 | COc1ccc([C@H]2CC[C@H](c3ccc(OC)c(OC)c3)O2)cc1OC | 10.1021/jm00160a020 | ||
| 44284425 | 119127 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 3.7 | COc1ccc(C2CCC(COCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL34669 | 119127 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 3.7 | COc1ccc(C2CCC(COCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 44284228 | 138129 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 4.4 | COc1ccc(C2CCC(OCCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL37770 | 138129 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 9 | 0 | 7 | 4.4 | COc1ccc(C2CCC(OCCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 14570078 | 193229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 344 | 7 | 1 | 2 | 4.8 | Cc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1 | 10.1021/jm00128a025 | ||
| CHEMBL54095 | 193229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 344 | 7 | 1 | 2 | 4.8 | Cc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1 | 10.1021/jm00128a025 | ||
| 44280378 | 99040 | 0 | None | - | 0 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 370 | 7 | 0 | 5 | 4.2 | C=CCC1=CC2(OCC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| CHEMBL283282 | 99040 | 0 | None | - | 0 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 370 | 7 | 0 | 5 | 4.2 | C=CCC1=CC2(OCC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| 14894759 | 98932 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 2 | 0 | 6 | 4.0 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)OC2 | 10.1021/jm00107a048 | ||
| CHEMBL282666 | 98932 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 2 | 0 | 6 | 4.0 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)c4ccccc4C3=O)cc1C(c1ccccc1F)OC2 | 10.1021/jm00107a048 | ||
| 13557479 | 195395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 7 | 1 | 5 | 4.1 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccccn4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL56742 | 195395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 7 | 1 | 5 | 4.1 | CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccccn4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 44283768 | 99861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 317 | 6 | 0 | 3 | 4.6 | Clc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL289406 | 99861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 317 | 6 | 0 | 3 | 4.6 | Clc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 14851879 | 99115 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 2 | 0 | 8 | 5.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc4c3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL283790 | 99115 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 2 | 0 | 8 | 5.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc4c3=O)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44372409 | 53860 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 490 | 10 | 2 | 8 | 5.0 | CCCOc1c(NC(=O)N(C)O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160692 | 53860 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 490 | 10 | 2 | 8 | 5.0 | CCCOc1c(NC(=O)N(C)O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 10015480 | 105258 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 260 | 1 | 0 | 2 | 3.6 | Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL312650 | 105258 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 260 | 1 | 0 | 2 | 3.6 | Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 10378955 | 203467 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1cccc(C2=Cc3ccccc3C3=NCCN23)c1 | 10.1021/jm00002a004 | ||
| CHEMBL78310 | 203467 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1cccc(C2=Cc3ccccc3C3=NCCN23)c1 | 10.1021/jm00002a004 | ||
| 44329225 | 107631 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 10 | 1 | 4 | 6.5 | COc1ccc(-c2c(/C=C/C(=O)N[C@@H](C)CCCc3cccnc3)ccc3cc(OC)ccc23)cc1 | 10.1021/jm00172a029 | ||
| CHEMBL319568 | 107631 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 10 | 1 | 4 | 6.5 | COc1ccc(-c2c(/C=C/C(=O)N[C@@H](C)CCCc3cccnc3)ccc3cc(OC)ccc23)cc1 | 10.1021/jm00172a029 | ||
| 14347339 | 101349 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 13 | 1 | 6 | 5.2 | COc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC | 10.1021/jm00128a026 | ||
| CHEMBL300251 | 101349 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 13 | 1 | 6 | 5.2 | COc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC | 10.1021/jm00128a026 | ||
| 44297137 | 192544 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 396 | 10 | 1 | 2 | 5.6 | O=C(C/C=C/C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL52297 | 192544 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 396 | 10 | 1 | 2 | 5.6 | O=C(C/C=C/C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 10765571 | 164309 | 0 | None | - | 0 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 3 | 0 | 5 | 6.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)Oc1ccccc1 | 10.1021/jm950640q | ||
| CHEMBL421954 | 164309 | 0 | None | - | 0 | Guinea pig | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 3 | 0 | 5 | 6.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)Oc1ccccc1 | 10.1021/jm950640q | ||
| 15097565 | 192871 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 12 | 1 | 2 | 6.2 | O=C(CCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL52693 | 192871 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 12 | 1 | 2 | 6.2 | O=C(CCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 9993602 | 103382 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 276 | 2 | 0 | 3 | 3.3 | COc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL309194 | 103382 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 276 | 2 | 0 | 3 | 3.3 | COc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 44372461 | 48392 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 574 | 15 | 1 | 8 | 6.9 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(O)CCC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155760 | 48392 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 574 | 15 | 1 | 8 | 6.9 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(O)CCC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 44273370 | 98475 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 561 | 2 | 1 | 7 | 5.6 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)NC2=O | 10.1021/jm00107a048 | ||
| CHEMBL279476 | 98475 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 561 | 2 | 1 | 7 | 5.6 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1ccccc1Cl)NC2=O | 10.1021/jm00107a048 | ||
| 10015659 | 103898 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 264 | 1 | 0 | 2 | 3.4 | Fc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | ||
| CHEMBL310238 | 103898 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 264 | 1 | 0 | 2 | 3.4 | Fc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | ||
| 21577212 | 67911 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 0 | 1 | 3 | 4.1 | C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL191612 | 67911 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 0 | 1 | 3 | 4.1 | C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| 11771535 | 133364 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 0 | 1 | 3 | 4.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| CHEMBL371569 | 133364 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 0 | 1 | 3 | 4.1 | C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2CC[C@@H](C)[C@]3(C)CC1 | 10.1016/j.bmcl.2005.04.048 | ||
| 44372459 | 48522 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 518 | 11 | 2 | 8 | 5.7 | CCCOc1c(NC(=O)N(O)C(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155873 | 48522 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 518 | 11 | 2 | 8 | 5.7 | CCCOc1c(NC(=O)N(O)C(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 71716651 | 85572 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 2 | 11 | 0.8 | C[C@@H]1C(=O)O[C@H]2[C@H](OCOCc3ccccc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| CHEMBL2304166 | 85572 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 2 | 11 | 0.8 | C[C@@H]1C(=O)O[C@H]2[C@H](OCOCc3ccccc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1016/s0960-894x(98)00205-4 | ||
| 23214297 | 53228 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 12 | 2 | 8 | 6.5 | CCCOc1c(NC(=O)N(O)Cc2ccccc2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160148 | 53228 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 12 | 2 | 8 | 6.5 | CCCOc1c(NC(=O)N(O)Cc2ccccc2)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 44372678 | 54040 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 5.8 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(O)C(=O)NCC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160839 | 54040 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 13 | 2 | 8 | 5.8 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(O)C(=O)NCC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 10042229 | 203508 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 329 | 3 | 0 | 3 | 3.9 | C1=C(c2ccc(CN3CCCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL78642 | 203508 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 329 | 3 | 0 | 3 | 3.9 | C1=C(c2ccc(CN3CCCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 131925 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm980046r | ||
| CHEMBL299944 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm980046r | ||
| 44328916 | 106855 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2c(OC)cccc12 | 10.1021/jm00172a029 | ||
| CHEMBL317579 | 106855 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2c(OC)cccc12 | 10.1021/jm00172a029 | ||
| 14851883 | 79451 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 2 | 0 | 8 | 5.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL21224 | 79451 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 2 | 0 | 8 | 5.5 | Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851911 | 98193 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 2 | 0 | 5 | 5.0 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=N[C@H]2C | 10.1021/jm00107a048 | ||
| CHEMBL277246 | 98193 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 2 | 0 | 5 | 5.0 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1ccccc1F)=N[C@H]2C | 10.1021/jm00107a048 | ||
| 44273306 | 98975 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 522 | 3 | 0 | 8 | 5.1 | C=C=Cn1c(=O)n(CC#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)c2ccccc21 | 10.1021/jm00107a048 | ||
| CHEMBL282905 | 98975 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 522 | 3 | 0 | 8 | 5.1 | C=C=Cn1c(=O)n(CC#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)c2ccccc21 | 10.1021/jm00107a048 | ||
| 44273305 | 168004 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 2 | 1 | 6 | 4.7 | Cc1nnc2n1-c1sc(C#CCN3C(=O)NCc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL435756 | 168004 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 2 | 1 | 6 | 4.7 | Cc1nnc2n1-c1sc(C#CCN3C(=O)NCc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 159547 | 3513 | 14 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 10.1021/jm00073a008 | ||
| 1855 | 3513 | 14 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 10.1021/jm00073a008 | ||
| CHEMBL449395 | 3513 | 14 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 7 | 0 | 5 | 5.1 | COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC | 10.1021/jm00073a008 | ||
| 14964715 | 4881 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 7 | 0 | 5 | 5.9 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NC(C)(C)CN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL104767 | 4881 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 7 | 0 | 5 | 5.9 | COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NC(C)(C)CN34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 15084152 | 99155 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 2 | 0 | 7 | 6.2 | Cc1nnc2n1-c1sc(C#Cc3ccc(-c4ccccn4)s3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL284079 | 99155 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 2 | 0 | 7 | 6.2 | Cc1nnc2n1-c1sc(C#Cc3ccc(-c4ccccn4)s3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 14347341 | 192828 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 1 | 2 | 6.5 | O=C(/C=C/C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| CHEMBL52615 | 192828 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 1 | 2 | 6.5 | O=C(/C=C/C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCCCCc1cccnc1 | 10.1021/jm00128a026 | ||
| 44297376 | 192975 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 12 | 1 | 4 | 6.0 | COc1ccc(C(=C/C=C/C(=O)N[C@@H](CCCc2cccnc2)C2CC2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL53029 | 192975 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 12 | 1 | 4 | 6.0 | COc1ccc(C(=C/C=C/C(=O)N[C@@H](CCCc2cccnc2)C2CC2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 14347370 | 193650 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 5.8 | Cc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(C)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL55156 | 193650 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 5.8 | Cc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(C)cc2)cc1 | 10.1021/jm00128a026 | ||
| 14570115 | 193207 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.9 | COc1ccc(-c2ccc(C(S)=N[C@H](C)CCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| CHEMBL54041 | 193207 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.9 | COc1ccc(-c2ccc(C(S)=N[C@H](C)CCCc3cccnc3)cc2)cc1OC | 10.1021/jm00128a025 | ||
| 107681 | 1196 | 24 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00397a034 | ||
| 6079 | 1196 | 24 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00397a034 | ||
| CHEMBL295212 | 1196 | 24 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | 10.1021/jm00397a034 | ||
| 13557506 | 33760 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.5 | CC(C)c1ccc2nc3ccc(C(=O)N[C@H](C)CCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL142433 | 33760 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.5 | CC(C)c1ccc2nc3ccc(C(=O)N[C@H](C)CCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 13557474 | 196749 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 8 | 1 | 6 | 3.8 | CC(C)Oc1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| CHEMBL57716 | 196749 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 8 | 1 | 6 | 3.8 | CC(C)Oc1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1 | 10.1021/jm00397a034 | ||
| 44283890 | 119684 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 283 | 6 | 0 | 3 | 3.9 | c1ccc(C2CCC(OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL35181 | 119684 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 283 | 6 | 0 | 3 | 3.9 | c1ccc(C2CCC(OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 44283867 | 137625 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 357 | 9 | 0 | 5 | 4.3 | COc1ccc(C2CCC(OCCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37686 | 137625 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 357 | 9 | 0 | 5 | 4.3 | COc1ccc(C2CCC(OCCCCc3cccnc3)O2)cc1OC | 10.1016/S0960-894X(00)80005-0 | ||
| 10736370 | 112316 | 0 | None | - | 0 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 4 | 0 | 4 | 4.2 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 | 10.1021/jm970569j | ||
| CHEMBL330708 | 112316 | 0 | None | - | 0 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 4 | 0 | 4 | 4.2 | C=C1CCC2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 | 10.1021/jm970569j | ||
| 14570074 | 161554 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 7 | 1 | 2 | 4.5 | O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm00128a025 | ||
| CHEMBL416120 | 161554 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 7 | 1 | 2 | 4.5 | O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm00128a025 | ||
| 10423490 | 162842 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 2 | 0 | 2 | 3.8 | CCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL419471 | 162842 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 2 | 0 | 2 | 3.8 | CCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 14347357 | 192801 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL52577 | 192801 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 11 | 1 | 4 | 5.6 | COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 15084140 | 110989 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 4 | 0 | 5 | 6.4 | CCCCc1ccc(C#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 | 10.1021/jm00108a031 | ||
| CHEMBL32767 | 110989 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 4 | 0 | 5 | 6.4 | CCCCc1ccc(C#Cc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 | 10.1021/jm00108a031 | ||
| 9973198 | 203494 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 318 | 2 | 0 | 2 | 3.8 | C[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL78545 | 203494 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 318 | 2 | 0 | 2 | 3.8 | C[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 44372644 | 167741 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 546 | 13 | 1 | 8 | 6.2 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(C)O)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL434090 | 167741 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 546 | 13 | 1 | 8 | 6.2 | CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(C)O)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 44328858 | 206306 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| CHEMBL97530 | 206306 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 430 | 11 | 1 | 3 | 6.1 | CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2cc(OC)ccc12 | 10.1021/jm00172a029 | ||
| 44284581 | 99741 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 4.0 | COc1ccc([C@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL288329 | 99741 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 397 | 8 | 0 | 7 | 4.0 | COc1ccc([C@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 44284551 | 135936 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 355 | 6 | 0 | 5 | 4.2 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccc(F)cc2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL37358 | 135936 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 355 | 6 | 0 | 5 | 4.2 | Cc1nc2cnccc2n1CCCOC1CCC(c2ccc(F)cc2)O1 | 10.1016/S0960-894X(00)80006-2 | ||
| 14851859 | 72443 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 2 | 0 | 7 | 4.2 | Cc1nnc2n1-c1sc(C#CCN3C(=O)C(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20003 | 72443 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 2 | 0 | 7 | 4.2 | Cc1nnc2n1-c1sc(C#CCN3C(=O)C(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273471 | 74606 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 531 | 2 | 0 | 6 | 5.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccc(Cl)cc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20323 | 74606 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 531 | 2 | 0 | 6 | 5.6 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccc(Cl)cc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 14851844 | 98243 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 2 | 0 | 6 | 4.6 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CSc4ccccc43)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL277618 | 98243 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 2 | 0 | 6 | 4.6 | Cc1nnc2n1-c1ccc(C#CCN3C(=O)CSc4ccccc43)cc1C(c1ccccc1F)=NC2 | 10.1021/jm00107a048 | ||
| 14851891 | 98298 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 521 | 2 | 0 | 6 | 6.5 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5ccccc53)CCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL278072 | 98298 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 521 | 2 | 0 | 6 | 6.5 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5ccccc53)CCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 443058 | 79270 | 3 | None | - | 0 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 358 | 6 | 0 | 5 | 4.0 | CCCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| CHEMBL2115332 | 79270 | 3 | None | - | 0 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 358 | 6 | 0 | 5 | 4.0 | CCCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C | 10.1021/jm00384a023 | ||
| 44273765 | 77449 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 569 | 2 | 0 | 6 | 7.6 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5cc(Cl)ccc53)CCCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20927 | 77449 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 569 | 2 | 0 | 6 | 7.6 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5cc(Cl)ccc53)CCCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 13557476 | 197298 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 3.8 | O=C(NCCCCc1cccnc1)c1ccc2nc3ccc(Br)cc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| CHEMBL58518 | 197298 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 3.8 | O=C(NCCCCc1cccnc1)c1ccc2nc3ccc(Br)cc3c(=O)n2c1 | 10.1021/jm00397a034 | ||
| 14547299 | 192776 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 11 | 1 | 4 | 5.9 | COc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2ccc(C)nc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL52526 | 192776 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 11 | 1 | 4 | 5.9 | COc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2ccc(C)nc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44296798 | 187724 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 9 | 1 | 3 | 6.3 | O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(OC3=CC=CC=CC3)c2)cc1 | 10.1021/jm00128a025 | ||
| CHEMBL50050 | 187724 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 9 | 1 | 3 | 6.3 | O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(OC3=CC=CC=CC3)c2)cc1 | 10.1021/jm00128a025 | ||
| 135503537 | 203913 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 262 | 1 | 1 | 3 | 3.0 | Oc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL81715 | 203913 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 262 | 1 | 1 | 3 | 3.0 | Oc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 44273122 | 72205 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 561 | 3 | 1 | 8 | 5.3 | O=c1c2ccccc2c2ccccc2n1CC#Cc1cc2c(s1)-n1c(CO)nnc1CN=C2c1ccccc1Cl | 10.1021/jm00107a048 | ||
| CHEMBL19917 | 72205 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 561 | 3 | 1 | 8 | 5.3 | O=c1c2ccccc2c2ccccc2n1CC#Cc1cc2c(s1)-n1c(CO)nnc1CN=C2c1ccccc1Cl | 10.1021/jm00107a048 | ||
| 44273268 | 77750 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 3 | 0 | 8 | 4.9 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1cc([N+](=O)[O-])ccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL21026 | 77750 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 3 | 0 | 8 | 4.9 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccccc43)cc1C(c1cc([N+](=O)[O-])ccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 9801987 | 105128 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 343 | 3 | 0 | 3 | 4.2 | C1=C(c2ccc(CN3CCCCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| CHEMBL312225 | 105128 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 343 | 3 | 0 | 3 | 4.2 | C1=C(c2ccc(CN3CCCCC3)cc2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | ||
| 23214230 | 119199 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 11 | 2 | 8 | 5.3 | CCCOc1c(NC(=O)N(O)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL347382 | 119199 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 11 | 2 | 8 | 5.3 | CCCOc1c(NC(=O)N(O)CC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 15084158 | 118892 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 501 | 5 | 0 | 7 | 6.6 | Cc1nnc2n1-c1sc(CCc3ccc(-c4ccccn4)s3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL34461 | 118892 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 501 | 5 | 0 | 7 | 6.6 | Cc1nnc2n1-c1sc(CCc3ccc(-c4ccccn4)s3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 44281321 | 99467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 5 | 0 | 5 | 7.0 | Cc1nnc2n1-c1sc(/C=C\c3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| CHEMBL286229 | 99467 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 5 | 0 | 5 | 7.0 | Cc1nnc2n1-c1sc(/C=C\c3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00108a031 | ||
| 10546751 | 43987 | 0 | None | - | 0 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 364 | 2 | 1 | 4 | 4.3 | CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O | 10.1021/jm950640q | ||
| CHEMBL151688 | 43987 | 0 | None | - | 0 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 364 | 2 | 1 | 4 | 4.3 | CC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1[C@@H]2O | 10.1021/jm950640q | ||
| 14570107 | 100780 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 444 | 11 | 1 | 4 | 5.6 | C=CCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| CHEMBL296169 | 100780 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 444 | 11 | 1 | 4 | 5.6 | C=CCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 | 10.1021/jm00128a025 | ||
| 44273146 | 98796 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 513 | 2 | 0 | 7 | 4.3 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccccc43)cc1C(C1=CC(=O)CC=C1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL281780 | 98796 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 513 | 2 | 0 | 7 | 4.3 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4ccccc43)cc1C(C1=CC(=O)CC=C1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44283767 | 137049 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 361 | 6 | 0 | 3 | 4.7 | Brc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| CHEMBL37547 | 137049 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 361 | 6 | 0 | 3 | 4.7 | Brc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 | 10.1016/S0960-894X(00)80005-0 | ||
| 44297357 | 100995 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 484 | 12 | 1 | 4 | 6.3 | COc1ccc(C(=C/C=C/C(=O)N[C@@H](CCCc2cccnc2)C(C)C)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL297734 | 100995 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 484 | 12 | 1 | 4 | 6.3 | COc1ccc(C(=C/C=C/C(=O)N[C@@H](CCCc2cccnc2)C(C)C)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44322343 | 204888 | 0 | None | - | 0 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.9 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)O[C@@H]2CCC1=CC(=O)OC1 | 10.1021/jm970569j | ||
| CHEMBL89059 | 204888 | 0 | None | - | 0 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.9 | COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCC(=O)O[C@@H]2CCC1=CC(=O)OC1 | 10.1021/jm970569j | ||
| 10378954 | 203823 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | ||
| CHEMBL80963 | 203823 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | ||
| 9995815 | 105135 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 314 | 1 | 0 | 2 | 4.6 | Clc1ccc(C2=Cc3ccccc3C3=NCCN23)c(Cl)c1 | 10.1021/jm00002a004 | ||
| CHEMBL312268 | 105135 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 314 | 1 | 0 | 2 | 4.6 | Clc1ccc(C2=Cc3ccccc3C3=NCCN23)c(Cl)c1 | 10.1021/jm00002a004 | ||
| 1853 | 3495 | 27 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10.1021/jm058225d | ||
| 60680 | 3495 | 27 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10.1021/jm058225d | ||
| CHEMBL10971 | 3495 | 27 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 0 | 0 | 2 | 4.3 | Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1 | 10.1021/jm058225d | ||
| 14347338 | 196519 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 11 | 1 | 4 | 6.0 | COc1ccc(C(=C/C=C/C(=O)NC(C)(C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL57510 | 196519 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 11 | 1 | 4 | 6.0 | COc1ccc(C(=C/C=C/C(=O)NC(C)(C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 | 10.1021/jm00128a026 | ||
| 44372459 | 48522 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 518 | 11 | 2 | 8 | 5.7 | CCCOc1c(NC(=O)N(O)C(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL155873 | 48522 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 518 | 11 | 2 | 8 | 5.7 | CCCOc1c(NC(=O)N(O)C(C)C)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC | 10.1016/0960-894X(95)00088-B | ||
| 14964723 | 108129 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 438 | 7 | 0 | 5 | 6.0 | COc1cc(CCc2ccc(-c3cc4ccccc4c4nccn34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL320577 | 108129 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 438 | 7 | 0 | 5 | 6.0 | COc1cc(CCc2ccc(-c3cc4ccccc4c4nccn34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 14347411 | 193063 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 14 | 1 | 3 | 6.5 | CCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| CHEMBL53527 | 193063 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 14 | 1 | 3 | 6.5 | CCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 | 10.1021/jm00128a026 | ||
| 14851888 | 74676 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 2 | 0 | 6 | 6.3 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4cc(Cl)cc(Cl)c43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20343 | 74676 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 565 | 2 | 0 | 6 | 6.3 | Cc1nnc2n1-c1sc(C#CCN3C(=O)CCc4cc(Cl)cc(Cl)c43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44273479 | 98440 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 2 | 1 | 8 | 4.7 | Cc1nnc2n1-c1sc(C#CCn3c(O)nc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL279234 | 98440 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 2 | 1 | 8 | 4.7 | Cc1nnc2n1-c1sc(C#CCn3c(O)nc4ccccc43)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 44329219 | 111459 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 6.1 | CCCCC1=C(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)CCc2cc(OC)ccc21 | 10.1021/jm00172a029 | ||
| CHEMBL328833 | 111459 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 6.1 | CCCCC1=C(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)CCc2cc(OC)ccc21 | 10.1021/jm00172a029 | ||
| 44273427 | 76442 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 555 | 2 | 0 | 6 | 7.2 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5cc(Cl)ccc53)CCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| CHEMBL20690 | 76442 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 555 | 2 | 0 | 6 | 7.2 | Cc1nnc2n1-c1sc(C#CCn3c4c(c5cc(Cl)ccc53)CCCC4)cc1C(c1ccccc1Cl)=NC2 | 10.1021/jm00107a048 | ||
| 10065779 | 203569 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 302 | 1 | 0 | 2 | 4.6 | CC(C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL79089 | 203569 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 302 | 1 | 0 | 2 | 4.6 | CC(C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 44284155 | 137331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 5.7 | COc1ccc(C2CCC(OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| CHEMBL37602 | 137331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 7 | 0 | 6 | 5.7 | COc1ccc(C2CCC(OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC | 10.1016/S0960-894X(00)80006-2 | ||
| 44372629 | 53702 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 546 | 14 | 2 | 8 | 6.2 | CCCNC(=O)N(O)c1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OCCC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| CHEMBL160571 | 53702 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 546 | 14 | 2 | 8 | 6.2 | CCCNC(=O)N(O)c1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OCCC)c1OCCC | 10.1016/0960-894X(95)00088-B | ||
| 10021121 | 203784 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.4 | C=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| CHEMBL80647 | 203784 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.4 | C=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 | 10.1021/jm00002a004 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm980046r | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm980046r | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm980046r | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm980046r | ||
| 14964727 | 5181 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 453 | 7 | 0 | 6 | 5.7 | COc1cc(CCc2ccc(-c3cc4ccccc4c4nnc(C)n34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| CHEMBL106358 | 5181 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 453 | 7 | 0 | 6 | 5.7 | COc1cc(CCc2ccc(-c3cc4ccccc4c4nnc(C)n34)cc2)cc(OC)c1OC | 10.1021/jm00073a008 | ||
| 10841126 | 60039 | 0 | None | - | 1 | Guinea pig | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 589 | 6 | 0 | 8 | 6.1 | COC(=O)c1cc(-c2ccc(F)cc2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL174592 | 60039 | 0 | None | - | 1 | Guinea pig | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 589 | 6 | 0 | 8 | 6.1 | COC(=O)c1cc(-c2ccc(F)cc2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 10.1016/j.bmcl.2013.01.025 | ||
| 10792315 | 130042 | 0 | None | - | 1 | Guinea pig | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 530 | 7 | 0 | 9 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)C(C)C | 10.1021/jm970389+ | ||
| CHEMBL368113 | 130042 | 0 | None | - | 1 | Guinea pig | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 530 | 7 | 0 | 9 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)C(C)C | 10.1021/jm970389+ | ||
| 44330466 | 205950 | 0 | None | - | 1 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 4 | 1 | 7 | 6.2 | CN(C)C(=O)n1cc(/C(=N/O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL95440 | 205950 | 0 | None | - | 1 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 4 | 1 | 7 | 6.2 | CN(C)C(=O)n1cc(/C(=N/O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 9804204 | 109216 | 22 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 458 | 9 | 0 | 7 | 3.4 | CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| CHEMBL322832 | 109216 | 22 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 458 | 9 | 0 | 7 | 3.4 | CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| 9804204 | 109216 | 22 | None | -1 | 2 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 458 | 9 | 0 | 7 | 3.4 | CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| CHEMBL322832 | 109216 | 22 | None | -1 | 2 | Guinea pig | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 458 | 9 | 0 | 7 | 3.4 | CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| 11797983 | 165328 | 0 | None | - | 1 | Guinea pig | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 454 | 6 | 1 | 7 | 4.3 | COC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| CHEMBL424947 | 165328 | 0 | None | - | 1 | Guinea pig | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 454 | 6 | 1 | 7 | 4.3 | COC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| 154087 | 229 | 14 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| 1850 | 229 | 14 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| CHEMBL369225 | 229 | 14 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| 10767539 | 59530 | 0 | None | - | 1 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.4 | COC(=O)c1cccc2c1c(C(=O)Cc1ccc(-n3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL172859 | 59530 | 0 | None | - | 1 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.4 | COC(=O)c1cccc2c1c(C(=O)Cc1ccc(-n3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 154121 | 167695 | 1 | None | - | 1 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 465 | 4 | 1 | 6 | 4.3 | C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)NC | 10.1021/jm970389+ | ||
| CHEMBL433795 | 167695 | 1 | None | - | 1 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 465 | 4 | 1 | 6 | 4.3 | C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)NC | 10.1021/jm970389+ | ||
| 44385903 | 131023 | 0 | None | - | 1 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 522 | 7 | 0 | 8 | 5.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)C(C)(C)C | 10.1021/jm970389+ | ||
| CHEMBL369233 | 131023 | 0 | None | - | 1 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 522 | 7 | 0 | 8 | 5.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)C(C)(C)C | 10.1021/jm970389+ | ||
| 10531810 | 132060 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 611 | 6 | 0 | 9 | 6.7 | COC(=O)c1cc(-c2cc3ccccc3o2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL369854 | 132060 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 611 | 6 | 0 | 9 | 6.7 | COC(=O)c1cc(-c2cc3ccccc3o2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10694900 | 129155 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 0 | 6 | 4.8 | Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367398 | 129155 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 0 | 6 | 4.8 | Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10529249 | 128781 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367085 | 128781 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10816905 | 165789 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 5.9 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OCc4ccccc4)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL427307 | 165789 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 5.9 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OCc4ccccc4)c23)cc1 | 10.1021/jm970389+ | ||
| 10596801 | 61030 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 5.1 | Cc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12 | 10.1021/jm970389+ | ||
| CHEMBL176797 | 61030 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 5.1 | Cc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12 | 10.1021/jm970389+ | ||
| 10552376 | 59716 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 471 | 4 | 0 | 6 | 5.2 | Cc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL173584 | 59716 | 0 | None | - | 1 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 471 | 4 | 0 | 6 | 5.2 | Cc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1 | 10.1021/jm970389+ | ||
| 10624048 | 127680 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 465 | 5 | 0 | 6 | 5.1 | CCc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL366553 | 127680 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 465 | 5 | 0 | 6 | 5.1 | CCc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10791349 | 59958 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 494 | 5 | 0 | 7 | 4.9 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL174198 | 59958 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 494 | 5 | 0 | 7 | 4.9 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10793625 | 129686 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 595 | 5 | 0 | 8 | 5.7 | COC(=O)c1cc(C#Cc2ccccc2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367922 | 129686 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 595 | 5 | 0 | 8 | 5.7 | COC(=O)c1cc(C#Cc2ccccc2)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 1849 | 228 | 1 | None | 6 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| 9830503 | 228 | 1 | None | 6 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| CHEMBL1183764 | 228 | 1 | None | 6 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| CHEMBL317090 | 228 | 1 | None | 6 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| 154087 | 229 | 14 | None | -2 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| 1850 | 229 | 14 | None | -2 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| CHEMBL369225 | 229 | 14 | None | -2 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| 44297792 | 100427 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 634 | 14 | 0 | 10 | 5.4 | CCCS(=O)(=O)c1cc(C2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80446-7 | ||
| CHEMBL293773 | 100427 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 634 | 14 | 0 | 10 | 5.4 | CCCS(=O)(=O)c1cc(C2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80446-7 | ||
| 10720080 | 59719 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 496 | 9 | 0 | 8 | 4.8 | CCOCCn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21 | 10.1021/jm970389+ | ||
| CHEMBL173586 | 59719 | 0 | None | - | 1 | Guinea pig | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 496 | 9 | 0 | 8 | 4.8 | CCOCCn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21 | 10.1021/jm970389+ | ||
| 9918334 | 11856 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 602 | 22 | 1 | 5 | 8.2 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1182944 | 11856 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 602 | 22 | 1 | 5 | 8.2 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL273639 | 11856 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 602 | 22 | 1 | 5 | 8.2 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44385287 | 60053 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 575 | 5 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1CN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| CHEMBL174668 | 60053 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 575 | 5 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1CN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| 10814055 | 59519 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 466 | 6 | 0 | 7 | 5.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C | 10.1021/jm970389+ | ||
| CHEMBL172819 | 59519 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 466 | 6 | 0 | 7 | 5.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C | 10.1021/jm970389+ | ||
| 9847128 | 59605 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 4 | 0 | 6 | 4.5 | C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL173122 | 59605 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 4 | 0 | 6 | 4.5 | C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10647650 | 129738 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 460 | 5 | 1 | 4 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(-c4ccc(F)cc4)cccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL367964 | 129738 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 460 | 5 | 1 | 4 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(-c4ccc(F)cc4)cccc23)cc1 | 10.1021/jm970389+ | ||
| 10579022 | 127536 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 573 | 5 | 0 | 8 | 5.1 | COC(=O)c1cc(Br)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL366508 | 127536 | 0 | None | - | 1 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 573 | 5 | 0 | 8 | 5.1 | COC(=O)c1cc(Br)cc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 154122 | 59695 | 1 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.5 | C#Cc1cccc2c1c(C(O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL173497 | 59695 | 1 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.5 | C#Cc1cccc2c1c(C(O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10719057 | 128498 | 0 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 467 | 5 | 1 | 8 | 3.7 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(N)=O | 10.1021/jm970389+ | ||
| CHEMBL366998 | 128498 | 0 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 467 | 5 | 1 | 8 | 3.7 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(N)=O | 10.1021/jm970389+ | ||
| 10672408 | 131301 | 0 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.9 | CNC(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21 | 10.1021/jm970389+ | ||
| CHEMBL369395 | 131301 | 0 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.9 | CNC(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21 | 10.1021/jm970389+ | ||
| 10506156 | 165503 | 0 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 520 | 5 | 0 | 7 | 5.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N1CCCC1 | 10.1021/jm970389+ | ||
| CHEMBL425688 | 165503 | 0 | None | - | 1 | Guinea pig | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 520 | 5 | 0 | 7 | 5.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N1CCCC1 | 10.1021/jm970389+ | ||
| 10673768 | 120214 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 529 | 5 | 0 | 8 | 4.9 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(Cl)nccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL354819 | 120214 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 529 | 5 | 0 | 8 | 4.9 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(Cl)nccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 154087 | 229 | 14 | None | -2 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| 1850 | 229 | 14 | None | -2 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| CHEMBL369225 | 229 | 14 | None | -2 | 2 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 10.1021/jm970389+ | ||
| 197443 | 11542 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 566 | 15 | 1 | 10 | 4.2 | CCCOc1c(OCCCO)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL118105 | 11542 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 566 | 15 | 1 | 10 | 4.2 | CCCOc1c(OCCCO)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| 44330591 | 4149 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 5.2 | CS(=O)(=O)NCCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL100257 | 4149 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 5.2 | CS(=O)(=O)NCCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44330532 | 167578 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 4 | 0 | 7 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cccnc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL433015 | 167578 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 4 | 0 | 7 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cccnc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10815093 | 59956 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cccnc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL174183 | 59956 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cccnc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10815934 | 129702 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 525 | 6 | 0 | 9 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(OC)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367941 | 129702 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | 525 | 6 | 0 | 9 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(OC)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL98046 | 206389 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 569 | 4 | 1 | 6 | 5.8 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3C2=C/[N+](=N/C(N)=O)CC=C2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44330181 | 14487 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 561 | 8 | 1 | 7 | 5.9 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(CCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL1205451 | 14487 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 561 | 8 | 1 | 7 | 5.9 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(CCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL98818 | 14487 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 561 | 8 | 1 | 7 | 5.9 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(CCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 44370756 | 167892 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 3 | 2 | 10 | 0.8 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@H]5F)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL435037 | 167892 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 3 | 2 | 10 | 0.8 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@H]5F)[C@]21O | 10.1021/jm0203985 | ||
| 44325417 | 205626 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL93677 | 205626 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 44340797 | 9491 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC | 10.1021/jm00097a005 | ||
| CHEMBL112481 | 9491 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 372 | 6 | 0 | 5 | 4.8 | COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC | 10.1021/jm00097a005 | ||
| CHEMBL108714 | 7413 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 327 | 7 | 1 | 6 | 3.5 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSCC)C1C | 10.1021/jm00174a017 | ||
| CHEMBL108295 | 6469 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 327 | 7 | 1 | 6 | 3.5 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)C1CC | 10.1021/jm00174a017 | ||
| 15208092 | 11200 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 14 | 0 | 3 | 5.6 | CCCCCCOc1c(OC)cc(/C=C/CCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179261 | 11200 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 14 | 0 | 3 | 5.6 | CCCCCCOc1c(OC)cc(/C=C/CCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66826 | 11200 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 14 | 0 | 3 | 5.6 | CCCCCCOc1c(OC)cc(/C=C/CCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 6917920 | 100979 | 2 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00097a005 | ||
| CHEMBL297624 | 100979 | 2 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1021/jm00097a005 | ||
| 6917920 | 100979 | 2 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL297624 | 100979 | 2 | None | -1 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 404 | 8 | 0 | 7 | 4.3 | COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC | 10.1016/S0960-894X(01)80818-0 | ||
| 44268192 | 11855 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 721 | 25 | 1 | 6 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1182943 | 11855 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 721 | 25 | 1 | 6 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL273638 | 11855 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 721 | 25 | 1 | 6 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL108086 | 6043 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 6 | 1 | 6 | 3.1 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)C1C | 10.1021/jm00174a017 | ||
| 9872676 | 77826 | 0 | None | -2691 | 17 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| CHEMBL210514 | 77826 | 0 | None | -2691 | 17 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| 44330445 | 106829 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 709 | 7 | 1 | 10 | 6.8 | CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccccc2S(=O)(=O)O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL317335 | 106829 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 709 | 7 | 1 | 10 | 6.8 | CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccccc2S(=O)(=O)O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 11800020 | 58946 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 515 | 4 | 0 | 6 | 5.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Br)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL170370 | 58946 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 515 | 4 | 0 | 6 | 5.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Br)c23)cc1 | 10.1021/jm970389+ | ||
| 10744089 | 59557 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 503 | 5 | 0 | 7 | 5.8 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccco4)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL172949 | 59557 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 503 | 5 | 0 | 7 | 5.8 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccco4)c23)cc1 | 10.1021/jm970389+ | ||
| 10554008 | 59711 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 5 | 0 | 8 | 4.8 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N1CCCC1 | 10.1021/jm970389+ | ||
| CHEMBL173571 | 59711 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 5 | 0 | 8 | 4.8 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N1CCCC1 | 10.1021/jm970389+ | ||
| 10505821 | 129274 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 508 | 5 | 0 | 7 | 4.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL367530 | 129274 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 508 | 5 | 0 | 7 | 4.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1 | 10.1021/jm970389+ | ||
| 10671691 | 129471 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 461 | 7 | 0 | 8 | 4.1 | COC(=O)c1cccc2c1c(C(=O)CCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367673 | 129471 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 461 | 7 | 0 | 8 | 4.1 | COC(=O)c1cccc2c1c(C(=O)CCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10101014 | 11006 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.0 | CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11713 | 11006 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.0 | CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178031 | 11006 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.0 | CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 21463468 | 11015 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 659 | 24 | 1 | 5 | 9.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178049 | 11015 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 659 | 24 | 1 | 5 | 9.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12067 | 11015 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 659 | 24 | 1 | 5 | 9.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44330542 | 206550 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 507 | 4 | 1 | 7 | 5.6 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cccc(N)c3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL98990 | 206550 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 507 | 4 | 1 | 7 | 5.6 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cccc(N)c3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10625050 | 130400 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1ccc2c(c1)c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL368586 | 130400 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1ccc2c(c1)c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 44370797 | 164314 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 0 | 3 | 10 | -1.2 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5Cl)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL422003 | 164314 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 458 | 0 | 3 | 10 | -1.2 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5Cl)[C@]21O | 10.1021/jm0203985 | ||
| 10484341 | 14631 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 646 | 17 | 2 | 11 | 4.3 | CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL1206922 | 14631 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 646 | 17 | 2 | 11 | 4.3 | CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL325491 | 14631 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 646 | 17 | 2 | 11 | 4.3 | CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| 21463470 | 11019 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 587 | 26 | 1 | 4 | 9.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178059 | 11019 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 587 | 26 | 1 | 4 | 9.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12337 | 11019 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 587 | 26 | 1 | 4 | 9.2 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 18755202 | 8786 | 5 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL109738 | 8786 | 5 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| 12800741 | 201232 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 395 | 5 | 2 | 3 | 5.6 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 | 10.1021/jm00089a016 | ||
| CHEMBL62822 | 201232 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 395 | 5 | 2 | 3 | 5.6 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 | 10.1021/jm00089a016 | ||
| 10504663 | 119902 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 4 | 0 | 7 | 4.1 | Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL353618 | 119902 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 4 | 0 | 7 | 4.1 | Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1 | 10.1021/jm970389+ | ||
| 10695777 | 130155 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 6.1 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(OCc4ccccc4)cccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL368292 | 130155 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 6.1 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c(OCc4ccccc4)cccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL98090 | 206401 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 631 | 5 | 0 | 7 | 6.9 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3C2=C/[N+](=N/C(=O)c3cccnc3)CC=C2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44385343 | 60084 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 561 | 4 | 0 | 8 | 3.7 | Cc1nc2cnccc2n1N1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| CHEMBL174989 | 60084 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 561 | 4 | 0 | 8 | 3.7 | Cc1nc2cnccc2n1N1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| 11800192 | 130697 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 523 | 5 | 0 | 8 | 4.9 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(C)nc(C)cc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL368657 | 130697 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 523 | 5 | 0 | 8 | 4.9 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(C)nc(C)cc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 44370939 | 118989 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 3 | 2 | 10 | 0.9 | C[C@@H]1C(=O)OC2[C@H](O)C34C5CC(C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccccc3)OC4(C(=O)O5)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL345420 | 118989 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 514 | 3 | 2 | 10 | 0.9 | C[C@@H]1C(=O)OC2[C@H](O)C34C5CC(C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccccc3)OC4(C(=O)O5)[C@]21O | 10.1021/jm0203985 | ||
| 44325488 | 205580 | 0 | None | - | 1 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL93374 | 205580 | 0 | None | - | 1 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 10459615 | 12276 | 0 | None | - | 1 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 11 | 0 | 5 | 3.9 | COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCc1ccccc1 | 10.1021/jm00012a012 | ||
| CHEMBL1185612 | 12276 | 0 | None | - | 1 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 11 | 0 | 5 | 3.9 | COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCc1ccccc1 | 10.1021/jm00012a012 | ||
| CHEMBL423305 | 12276 | 0 | None | - | 1 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 11 | 0 | 5 | 3.9 | COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCc1ccccc1 | 10.1021/jm00012a012 | ||
| 44353137 | 168706 | 0 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 456 | 1 | 4 | 11 | -1.9 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)[C@@H](O)C1OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]132 | 10.1021/jm020147w | ||
| CHEMBL441286 | 168706 | 0 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 456 | 1 | 4 | 11 | -1.9 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)[C@@H](O)C1OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]132 | 10.1021/jm020147w | ||
| 16211418 | 66653 | 6 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 440 | 0 | 4 | 11 | -2.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@@H]5O)[C@@]12O | 10.1021/jm0203985 | ||
| CHEMBL1868593 | 66653 | 6 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 440 | 0 | 4 | 11 | -2.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@@H]5O)[C@@]12O | 10.1021/jm0203985 | ||
| 44267821 | 11014 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 604 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178046 | 11014 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 604 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12012 | 11014 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 604 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O | 10.1016/0960-894X(95)00173-Q | ||
| 10768575 | 59957 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 531 | 5 | 0 | 9 | 3.9 | COC(=O)c1cccc2c1c(S(=O)(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL174192 | 59957 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 531 | 5 | 0 | 9 | 3.9 | COC(=O)c1cccc2c1c(S(=O)(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 44330383 | 107663 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 540 | 6 | 2 | 7 | 5.3 | O=C(O)CNC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL319603 | 107663 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 540 | 6 | 2 | 7 | 5.3 | O=C(O)CNC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44353073 | 115858 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 632 | 4 | 2 | 12 | 1.7 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OC(=O)c3ccc(C(=O)c6ccccc6)cc3)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL335974 | 115858 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 632 | 4 | 2 | 12 | 1.7 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OC(=O)c3ccc(C(=O)c6ccccc6)cc3)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| 10004583 | 11203 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 12 | 0 | 3 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 | 10.1021/jm00012a012 | ||
| CHEMBL1179268 | 11203 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 12 | 0 | 3 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 | 10.1021/jm00012a012 | ||
| CHEMBL67031 | 11203 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 12 | 0 | 3 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 | 10.1021/jm00012a012 | ||
| 21463389 | 11868 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 593 | 26 | 1 | 5 | 9.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1183002 | 11868 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 593 | 26 | 1 | 5 | 9.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL275573 | 11868 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 593 | 26 | 1 | 5 | 9.3 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10743377 | 59748 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 481 | 5 | 1 | 7 | 4.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)O)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL173742 | 59748 | 0 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 481 | 5 | 1 | 7 | 4.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)O)c23)cc1 | 10.1021/jm970389+ | ||
| 5312127 | 62989 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1016/S0960-894X(01)80446-7 | ||
| CHEMBL1793831 | 62989 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1016/S0960-894X(01)80446-7 | ||
| 44268128 | 11031 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178084 | 11031 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12836 | 11031 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 10625951 | 60957 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 526 | 8 | 0 | 7 | 5.2 | Cc1nc2cnccc2n1CCCN(C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1021/jm970389+ | ||
| CHEMBL176678 | 60957 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 526 | 8 | 0 | 7 | 5.2 | Cc1nc2cnccc2n1CCCN(C)CC(=O)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1021/jm970389+ | ||
| 44325031 | 205561 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@H](c3cccnc3)SC[C@H]2[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL93223 | 205561 | 0 | None | - | 1 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@H](c3cccnc3)SC[C@H]2[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 10372227 | 11205 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179274 | 11205 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67302 | 11205 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 24 | 0 | 5 | 8.2 | CCCCCCCCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14983489 | 201666 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 5.3 | CNC(=O)CN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL65132 | 201666 | 0 | None | - | 1 | Guinea pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 5.3 | CNC(=O)CN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 44325151 | 205059 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@@H](c3cccnc3)SC[C@H]2[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL90243 | 205059 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@@H](c3cccnc3)SC[C@H]2[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 44353034 | 164723 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 1 | 2 | 9 | 0.2 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)CC1OC(=O)C3[C@]4(O)[C@H](C[C@]132)OC(=O)[C@H]4C | 10.1021/jm020147w | ||
| CHEMBL423154 | 164723 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 1 | 2 | 9 | 0.2 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)CC1OC(=O)C3[C@]4(O)[C@H](C[C@]132)OC(=O)[C@H]4C | 10.1021/jm020147w | ||
| 10528709 | 59702 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 479 | 8 | 0 | 7 | 4.9 | CCOCCn1cc(C(=O)CN2CCC(n3c(C)nc4cnccc43)CC2)c2c(Cl)cccc21 | 10.1021/jm970389+ | ||
| CHEMBL173531 | 59702 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 479 | 8 | 0 | 7 | 4.9 | CCOCCn1cc(C(=O)CN2CCC(n3c(C)nc4cnccc43)CC2)c2c(Cl)cccc21 | 10.1021/jm970389+ | ||
| 44268122 | 11024 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178068 | 11024 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12439 | 11024 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12882 | 11024 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL107881 | 5725 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 6 | 1 | 6 | 4.1 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)C1C | 10.1021/jm00174a017 | ||
| 44353136 | 20141 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 618 | 5 | 2 | 11 | 2.1 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccc(C(=O)c6ccccc6)cc3)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL130606 | 20141 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 618 | 5 | 2 | 11 | 2.1 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccc(C(=O)c6ccccc6)cc3)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| 44353135 | 116555 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 4 | 2 | 12 | 2.0 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccc(C6(C(F)(F)F)N=N6)cc3)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL339146 | 116555 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 4 | 2 | 12 | 2.0 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3ccc(C6(C(F)(F)F)N=N6)cc3)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| 44325131 | 205676 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL93952 | 205676 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 14983485 | 96306 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 551 | 10 | 1 | 5 | 4.8 | CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL264497 | 96306 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 551 | 10 | 1 | 5 | 4.8 | CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 44305015 | 201681 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 454 | 9 | 2 | 4 | 4.9 | CNC(=O)CN(C)CC1=CC(C)(C)Oc2cc(C(C)CCCc3ccc(F)cc3)cc(O)c21 | 10.1021/jm00089a016 | ||
| CHEMBL65228 | 201681 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 454 | 9 | 2 | 4 | 4.9 | CNC(=O)CN(C)CC1=CC(C)(C)Oc2cc(C(C)CCCc3ccc(F)cc3)cc(O)c21 | 10.1021/jm00089a016 | ||
| 21321141 | 101732 | 0 | None | - | 1 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 480 | 7 | 1 | 4 | 5.4 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 | 10.1021/jm00089a016 | ||
| CHEMBL302863 | 101732 | 0 | None | - | 1 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 480 | 7 | 1 | 4 | 5.4 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 | 10.1021/jm00089a016 | ||
| 9985047 | 11196 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179248 | 11196 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66344 | 11196 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 16 | 0 | 5 | 5.1 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 44330533 | 206563 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 522 | 5 | 1 | 7 | 5.6 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(CO)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL99070 | 206563 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 522 | 5 | 1 | 7 | 5.6 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(CO)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10672861 | 59684 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccncc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL173471 | 59684 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccncc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 44330473 | 106769 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 610 | 9 | 0 | 8 | 6.7 | CN(C)CCCO/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL316911 | 106769 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 610 | 9 | 0 | 8 | 6.7 | CN(C)CCCO/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 44330573 | 107441 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 511 | 7 | 1 | 6 | 6.1 | O=C(O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL319346 | 107441 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 511 | 7 | 1 | 6 | 6.1 | O=C(O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44370951 | 167649 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 467 | 2 | 4 | 11 | -1.8 | CCN[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O | 10.1021/jm0203985 | ||
| CHEMBL433516 | 167649 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 467 | 2 | 4 | 11 | -1.8 | CCN[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O | 10.1021/jm0203985 | ||
| 14983484 | 201243 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 537 | 10 | 2 | 5 | 4.5 | CNC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL62873 | 201243 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 537 | 10 | 2 | 5 | 4.5 | CNC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 44370757 | 50915 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 530 | 3 | 3 | 11 | -0.2 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@@H]5O)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL158006 | 50915 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 530 | 3 | 3 | 11 | -0.2 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@@H]5O)[C@]21O | 10.1021/jm0203985 | ||
| 14983486 | 201124 | 0 | None | - | 1 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 409 | 6 | 1 | 3 | 5.9 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCNC1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL62322 | 201124 | 0 | None | - | 1 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 409 | 6 | 1 | 3 | 5.9 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCNC1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 10484341 | 14631 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 646 | 17 | 2 | 11 | 4.3 | CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL1206922 | 14631 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 646 | 17 | 2 | 11 | 4.3 | CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL325491 | 14631 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 646 | 17 | 2 | 11 | 4.3 | CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| 44330543 | 206441 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 6 | 5.8 | O=C(O)Cn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL98359 | 206441 | 0 | None | - | 1 | Guinea pig | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 6 | 5.8 | O=C(O)Cn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10649918 | 165654 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1cccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)c1 | 10.1021/jm970389+ | ||
| CHEMBL426579 | 165654 | 0 | None | - | 1 | Guinea pig | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1cccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)c1 | 10.1021/jm970389+ | ||
| 44325243 | 112132 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL330269 | 112132 | 0 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 10053949 | 11193 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 18 | 0 | 5 | 5.9 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179244 | 11193 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 18 | 0 | 5 | 5.9 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66185 | 11193 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 18 | 0 | 5 | 5.9 | CCCCCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 44267841 | 11012 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 589 | 27 | 1 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178044 | 11012 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 589 | 27 | 1 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11977 | 11012 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 589 | 27 | 1 | 5 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44330129 | 107670 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 521 | 6 | 0 | 9 | 5.2 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(Cn2ncnn2)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL319609 | 107670 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 521 | 6 | 0 | 9 | 5.2 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(Cn2ncnn2)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 10767781 | 59150 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 502 | 5 | 0 | 9 | 3.5 | COC(=O)c1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL171294 | 59150 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 502 | 5 | 0 | 9 | 3.5 | COC(=O)c1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10767535 | 130180 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 4 | 0 | 6 | 3.9 | C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)c(F)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL368410 | 130180 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 4 | 0 | 6 | 3.9 | C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)c(F)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10649919 | 128499 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3ccc(-c4ccc(F)cc4)cc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL367011 | 128499 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3ccc(-c4ccc(F)cc4)cc23)cc1 | 10.1021/jm970389+ | ||
| 10008088 | 11201 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 438 | 17 | 0 | 5 | 5.5 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](CC)(CC)CC)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179264 | 11201 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 438 | 17 | 0 | 5 | 5.5 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](CC)(CC)CC)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66933 | 11201 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 438 | 17 | 0 | 5 | 5.5 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](CC)(CC)CC)cc1OC | 10.1021/jm00012a012 | ||
| 2753 | 118845 | 62 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 342 | 6 | 1 | 4 | 3.9 | CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 | nan | ||
| CHEMBL34431 | 118845 | 62 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 342 | 6 | 1 | 4 | 3.9 | CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 | nan | ||
| 10504086 | 59435 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 458 | 4 | 0 | 7 | 4.1 | Cc1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL172484 | 59435 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 458 | 4 | 0 | 7 | 4.1 | Cc1cccc2c1c(C(=O)CN1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10721536 | 59989 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 1 | 7 | 5.8 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(NC(=O)c4ccccc4)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL174402 | 59989 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 1 | 7 | 5.8 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(NC(=O)c4ccccc4)c23)cc1 | 10.1021/jm970389+ | ||
| 10790411 | 131601 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 467 | 5 | 0 | 7 | 4.5 | COc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL369614 | 131601 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 467 | 5 | 0 | 7 | 4.5 | COc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10811407 | 60070 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 4.6 | C#Cc1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)c(F)c3)c12 | 10.1021/jm970389+ | ||
| CHEMBL174859 | 60070 | 0 | None | - | 1 | Guinea pig | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 4.6 | C#Cc1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)c(F)c3)c12 | 10.1021/jm970389+ | ||
| 10369605 | 106884 | 0 | None | -1 | 2 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.4 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+]([O-])c2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL317745 | 106884 | 0 | None | -1 | 2 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.4 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+]([O-])c2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10602310 | 61006 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL176725 | 61006 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| 10369605 | 106884 | 0 | None | 1 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.4 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+]([O-])c2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| CHEMBL317745 | 106884 | 0 | None | 1 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.4 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+]([O-])c2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| 10696765 | 130100 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 501 | 5 | 0 | 8 | 4.7 | COC(=O)c1cccc2c1c(C(=O)C1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL368185 | 130100 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 501 | 5 | 0 | 8 | 4.7 | COC(=O)c1cccc2c1c(C(=O)C1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10554403 | 59730 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 538 | 4 | 0 | 6 | 5.6 | Cc1nc2cnccc2n1CC1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| CHEMBL173642 | 59730 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 538 | 4 | 0 | 6 | 5.6 | Cc1nc2cnccc2n1CC1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| 10032022 | 10912 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 635 | 16 | 0 | 11 | 4.6 | CCCOc1c(OCCCN2CCOCC2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL117413 | 10912 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 635 | 16 | 0 | 11 | 4.6 | CCCOc1c(OCCCN2CCOCC2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| 10430573 | 162784 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 391 | 13 | 0 | 5 | 6.0 | CCCCCCOc1c(OC)cc(CCCCc2scnc2C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL419071 | 162784 | 0 | None | - | 1 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 391 | 13 | 0 | 5 | 6.0 | CCCCCCOc1c(OC)cc(CCCCc2scnc2C)cc1OC | 10.1021/jm00012a012 | ||
| 44344325 | 114318 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@@H](C)CCCO | 10.1021/jm00097a005 | ||
| CHEMBL334115 | 114318 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@@H](C)CCCO | 10.1021/jm00097a005 | ||
| 10744808 | 59618 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccc(F)cc4)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL173191 | 59618 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccc(F)cc4)c23)cc1 | 10.1021/jm970389+ | ||
| 10672429 | 130854 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 6 | 1 | 8 | 4.1 | COC(=O)c1ccc(C(=O)OC)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12 | 10.1021/jm970389+ | ||
| CHEMBL368923 | 130854 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 6 | 1 | 8 | 4.1 | COC(=O)c1ccc(C(=O)OC)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12 | 10.1021/jm970389+ | ||
| 10767540 | 131605 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ncccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL369643 | 131605 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 4.3 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ncccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 197443 | 11542 | 5 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 566 | 15 | 1 | 10 | 4.2 | CCCOc1c(OCCCO)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL118105 | 11542 | 5 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 566 | 15 | 1 | 10 | 4.2 | CCCOc1c(OCCCO)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| 44267844 | 11005 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 605 | 27 | 1 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11696 | 11005 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 605 | 27 | 1 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178030 | 11005 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 605 | 27 | 1 | 5 | 8.8 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 21463443 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178039 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11872 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12352 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44268223 | 11025 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 563 | 22 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178072 | 11025 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 563 | 22 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12499 | 11025 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 563 | 22 | 0 | 5 | 7.9 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 44330379 | 111873 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 596 | 8 | 0 | 8 | 6.3 | CN(C)CCO/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL329498 | 111873 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 596 | 8 | 0 | 8 | 6.3 | CN(C)CCO/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 44330428 | 111050 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 526 | 4 | 1 | 6 | 6.3 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3C2=C[N+](=N)CC=C2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL327953 | 111050 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 526 | 4 | 1 | 6 | 6.3 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3C2=C[N+](=N)CC=C2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 54761054 | 137553 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 3 | 1 | 5 | 4.0 | Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C | 10.1016/j.bmcl.2016.01.021 | ||
| CHEMBL3765778 | 137553 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 367 | 3 | 1 | 5 | 4.0 | Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C | 10.1016/j.bmcl.2016.01.021 | ||
| 12800742 | 201163 | 0 | None | - | 1 | Guinea pig | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 453 | 6 | 2 | 4 | 4.8 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1 | 10.1021/jm00089a016 | ||
| CHEMBL62503 | 201163 | 0 | None | - | 1 | Guinea pig | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 453 | 6 | 2 | 4 | 4.8 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1 | 10.1021/jm00089a016 | ||
| 14983481 | 201694 | 0 | None | - | 1 | Guinea pig | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 494 | 9 | 2 | 4 | 5.8 | CNC(=O)CCCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL65377 | 201694 | 0 | None | - | 1 | Guinea pig | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 494 | 9 | 2 | 4 | 5.8 | CNC(=O)CCCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL326215 | 110468 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 8 | 1 | 7 | 4.7 | CC1=NC(C)=C(C(=O)OCCSc2ccccc2)C(C)/C1=C(\O)OCC1CCCO1 | 10.1021/jm00174a017 | ||
| 44268145 | 11029 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178081 | 11029 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12708 | 11029 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 22 | 0 | 5 | 7.1 | CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 10099557 | 11206 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 444 | 13 | 0 | 5 | 5.2 | CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179276 | 11206 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 444 | 13 | 0 | 5 | 5.2 | CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67396 | 11206 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 444 | 13 | 0 | 5 | 5.2 | CCCCCCOc1c(OC)cc(C(=O)OCc2ccccc2C[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 21463443 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178039 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11872 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12352 | 11010 | 0 | None | - | 1 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44325242 | 106437 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@H](c3cccnc3)SC[C@H]2[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL314744 | 106437 | 0 | None | - | 1 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@H](c3cccnc3)SC[C@H]2[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 2812 | 4711 | 96 | None | -69 | 34 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -69 | 34 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 9852175 | 77839 | 13 | None | -72443 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 628 | 4 | 0 | 3 | 6.8 | Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2013.09.001 | ||
| CHEMBL2105667 | 77839 | 13 | None | -72443 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 628 | 4 | 0 | 3 | 6.8 | Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2013.09.001 | ||
| 10429945 | 162866 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 14 | 0 | 6 | 4.2 | CCCCCCOc1c(OC)cc(C(=O)OCCCCN(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL419620 | 162866 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 14 | 0 | 6 | 4.2 | CCCCCCOc1c(OC)cc(C(=O)OCCCCN(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 10815590 | 128922 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 511 | 5 | 0 | 8 | 3.5 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367130 | 128922 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 511 | 5 | 0 | 8 | 3.5 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c[n+]([O-])ccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 14983499 | 201737 | 0 | None | - | 1 | Guinea pig | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 484 | 9 | 4 | 5 | 4.3 | CNC(=O)CN1CCC(C(C)(C)O)=C(c2c(O)cc(C(C)CCCc3ccc(F)cc3)cc2O)C1 | 10.1021/jm00089a016 | ||
| CHEMBL65715 | 201737 | 0 | None | - | 1 | Guinea pig | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 484 | 9 | 4 | 5 | 4.3 | CNC(=O)CN1CCC(C(C)(C)O)=C(c2c(O)cc(C(C)CCCc3ccc(F)cc3)cc2O)C1 | 10.1021/jm00089a016 | ||
| 9870702 | 99817 | 10 | None | -1 | 2 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 6 | 0 | 5 | 7.7 | Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)cc1 | 10.1016/0960-894X(95)00227-K | ||
| CHEMBL28902 | 99817 | 10 | None | -1 | 2 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 6 | 0 | 5 | 7.7 | Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)cc1 | 10.1016/0960-894X(95)00227-K | ||
| 44325472 | 105639 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL313414 | 105639 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2OC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 44330482 | 4129 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 526 | 4 | 2 | 10 | 4.3 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cnc(O)nc3O)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL100159 | 4129 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 526 | 4 | 2 | 10 | 4.3 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3cnc(O)nc3O)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44370467 | 119344 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 574 | 3 | 3 | 13 | -0.0 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5OC(=O)OCc3ccccc3)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL348623 | 119344 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 574 | 3 | 3 | 13 | -0.0 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5OC(=O)OCc3ccccc3)[C@]21O | 10.1021/jm0203985 | ||
| 10027153 | 11197 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 14 | 0 | 6 | 4.6 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccsc2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179250 | 11197 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 14 | 0 | 6 | 4.6 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccsc2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66374 | 11197 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 14 | 0 | 6 | 4.6 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccsc2)cc1OC | 10.1021/jm00012a012 | ||
| 44330557 | 167298 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 588 | 6 | 2 | 8 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(OP(=O)(O)O)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL431037 | 167298 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 588 | 6 | 2 | 8 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(OP(=O)(O)O)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44325298 | 96037 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL262427 | 96037 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 445 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2OC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 14983502 | 100084 | 0 | None | - | 1 | Guinea pig | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 523 | 12 | 1 | 4 | 7.2 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL291432 | 100084 | 0 | None | - | 1 | Guinea pig | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 523 | 12 | 1 | 4 | 7.2 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 44268198 | 11030 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 698 | 24 | 1 | 7 | 8.9 | CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178083 | 11030 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 698 | 24 | 1 | 7 | 8.9 | CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12773 | 11030 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 698 | 24 | 1 | 7 | 8.9 | CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| 11800062 | 59628 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 517 | 4 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1-c1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL173215 | 59628 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 517 | 4 | 0 | 6 | 6.3 | Cc1nc2cnccc2n1-c1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| 10414574 | 11204 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 13 | 0 | 4 | 5.0 | CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179271 | 11204 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 13 | 0 | 4 | 5.0 | CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67232 | 11204 | 0 | None | - | 1 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 13 | 0 | 4 | 5.0 | CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 10256234 | 11198 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 14 | 0 | 5 | 4.3 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179252 | 11198 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 14 | 0 | 5 | 4.3 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66495 | 11198 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 14 | 0 | 5 | 4.3 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 10485263 | 11013 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 631 | 22 | 1 | 6 | 6.5 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178045 | 11013 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 631 | 22 | 1 | 6 | 6.5 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11989 | 11013 | 0 | None | - | 1 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 631 | 22 | 1 | 6 | 6.5 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C(C)=O)C1 | 10.1016/0960-894X(95)00173-Q | ||
| 21463453 | 11866 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 611 | 27 | 1 | 6 | 8.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1182988 | 11866 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 611 | 27 | 1 | 6 | 8.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL274843 | 11866 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 611 | 27 | 1 | 6 | 8.9 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44330596 | 108098 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 565 | 4 | 0 | 7 | 5.9 | CN1CCN(C(=O)n2cc(C(=O)c3ccn4c3CS[C@@H]4c3cccnc3)c3ccc(-c4ccc(F)cc4)cc32)CC1 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL320371 | 108098 | 0 | None | - | 1 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 565 | 4 | 0 | 7 | 5.9 | CN1CCN(C(=O)n2cc(C(=O)c3ccn4c3CS[C@@H]4c3cccnc3)c3ccc(-c4ccc(F)cc4)cc32)CC1 | 10.1016/0960-894X(95)00511-Q | ||
| 44278454 | 99422 | 0 | None | 2 | 2 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 7.0 | Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccccc4n3)c2)cc1 | 10.1016/0960-894X(95)00227-K | ||
| CHEMBL28595 | 99422 | 0 | None | 2 | 2 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 7.0 | Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccccc4n3)c2)cc1 | 10.1016/0960-894X(95)00227-K | ||
| 10394043 | 156536 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 616 | 16 | 0 | 11 | 5.1 | CCCOc1c(OCCCn2ccnc2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| CHEMBL407427 | 156536 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 616 | 16 | 0 | 11 | 5.1 | CCCOc1c(OCCCn2ccnc2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O | 10.1021/jm00097a005 | ||
| 11799893 | 129209 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 8 | 0 | 6 | 6.5 | Cc1nc2cnccc2n1CCCCCC(=O)c1cn(C(=O)N(C)C)c2cccc(-c3ccc(F)cc3)c12 | 10.1021/jm970389+ | ||
| CHEMBL367418 | 129209 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 8 | 0 | 6 | 6.5 | Cc1nc2cnccc2n1CCCCCC(=O)c1cn(C(=O)N(C)C)c2cccc(-c3ccc(F)cc3)c12 | 10.1021/jm970389+ | ||
| 131925 | 101302 | 12 | None | 2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL299944 | 101302 | 12 | None | 2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| 131925 | 101302 | 12 | None | 2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm00097a005 | ||
| CHEMBL299944 | 101302 | 12 | None | 2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm00097a005 | ||
| 44330570 | 106881 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 7 | 1 | 7 | 5.0 | NS(=O)(=O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL317735 | 106881 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 7 | 1 | 7 | 5.0 | NS(=O)(=O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10625893 | 60033 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 524 | 3 | 0 | 6 | 5.5 | Cc1nc2cnccc2n1C1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| CHEMBL174550 | 60033 | 0 | None | - | 1 | Guinea pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 524 | 3 | 0 | 6 | 5.5 | Cc1nc2cnccc2n1C1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| 11800214 | 59929 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 524 | 5 | 0 | 8 | 4.6 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL174104 | 59929 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 524 | 5 | 0 | 8 | 4.6 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1 | 10.1021/jm970389+ | ||
| 44344325 | 114318 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@@H](C)CCCO | 10.1021/jm00097a005 | ||
| CHEMBL334115 | 114318 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@@H](C)CCCO | 10.1021/jm00097a005 | ||
| 44344131 | 10136 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@H](C)CCCO | 10.1021/jm00097a005 | ||
| CHEMBL116072 | 10136 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@H](C)CCCO | 10.1021/jm00097a005 | ||
| 9957997 | 206430 | 22 | None | -1 | 2 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 510 | 4 | 0 | 6 | 6.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL98318 | 206430 | 22 | None | -1 | 2 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 510 | 4 | 0 | 6 | 6.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 9957997 | 206430 | 22 | None | 1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 510 | 4 | 0 | 6 | 6.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| CHEMBL98318 | 206430 | 22 | None | 1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 510 | 4 | 0 | 6 | 6.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| 1849 | 228 | 1 | None | -6 | 2 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| 9830503 | 228 | 1 | None | -6 | 2 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| CHEMBL1183764 | 228 | 1 | None | -6 | 2 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| CHEMBL317090 | 228 | 1 | None | -6 | 2 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 10.1021/jm970389+ | ||
| 44267830 | 11017 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 655 | 27 | 1 | 5 | 10.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178052 | 11017 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 655 | 27 | 1 | 5 | 10.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12125 | 11017 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 655 | 27 | 1 | 5 | 10.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 21463457 | 11011 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 595 | 27 | 1 | 6 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178043 | 11011 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 595 | 27 | 1 | 6 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL11962 | 11011 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 595 | 27 | 1 | 6 | 8.1 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44330583 | 14488 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 623 | 6 | 1 | 8 | 6.6 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)c2ccccc2S(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL100201 | 14488 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 623 | 6 | 1 | 8 | 6.6 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)c2ccccc2S(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL1205458 | 14488 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 623 | 6 | 1 | 8 | 6.6 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)c2ccccc2S(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 10697758 | 60044 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 5 | 0 | 8 | 4.7 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1F | 10.1021/jm970389+ | ||
| CHEMBL174618 | 60044 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 5 | 0 | 8 | 4.7 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1F | 10.1021/jm970389+ | ||
| 3085018 | 101809 | 13 | None | - | 1 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 433 | 6 | 1 | 3 | 5.9 | C#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL303312 | 101809 | 13 | None | - | 1 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 433 | 6 | 1 | 3 | 5.9 | C#CCN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 10074948 | 11209 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 15 | 0 | 3 | 5.5 | CCCCCCOc1c(OC)cc(CCCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179303 | 11209 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 15 | 0 | 3 | 5.5 | CCCCCCOc1c(OC)cc(CCCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL68653 | 11209 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 15 | 0 | 3 | 5.5 | CCCCCCOc1c(OC)cc(CCCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 14983495 | 200597 | 0 | None | - | 1 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 5.0 | CNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL61014 | 200597 | 0 | None | - | 1 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 5.0 | CNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 14983494 | 201298 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 466 | 7 | 2 | 4 | 5.0 | CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL63111 | 201298 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 466 | 7 | 2 | 4 | 5.0 | CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 44268136 | 11027 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 726 | 26 | 1 | 7 | 9.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178074 | 11027 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 726 | 26 | 1 | 7 | 9.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12556 | 11027 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 726 | 26 | 1 | 7 | 9.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| 44305014 | 201836 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 7 | 1 | 3 | 5.3 | CNC(=O)CN1CCC2=C(C1)c1ccc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL66414 | 201836 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 7 | 1 | 3 | 5.3 | CNC(=O)CN1CCC2=C(C1)c1ccc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 9987194 | 11028 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178075 | 11028 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12558 | 11028 | 0 | None | - | 1 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 659 | 24 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O | 10.1016/0960-894X(95)00174-R | ||
| 21321139 | 102177 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 8 | 2 | 4 | 5.1 | CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 | 10.1021/jm00089a016 | ||
| CHEMBL304427 | 102177 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 428 | 8 | 2 | 4 | 5.1 | CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 | 10.1021/jm00089a016 | ||
| 9848518 | 106806 | 2 | None | -1 | 2 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 492 | 6 | 0 | 6 | 7.2 | Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3nc4cc(F)ccc4s3)c2)cc1 | 10.1016/0960-894X(95)00227-K | ||
| CHEMBL31714 | 106806 | 2 | None | -1 | 2 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 492 | 6 | 0 | 6 | 7.2 | Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3nc4cc(F)ccc4s3)c2)cc1 | 10.1016/0960-894X(95)00227-K | ||
| 44330572 | 111165 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 482 | 6 | 1 | 6 | 5.6 | NCCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL328632 | 111165 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 482 | 6 | 1 | 6 | 5.6 | NCCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44330497 | 107869 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 482 | 4 | 0 | 7 | 5.7 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccco3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL319811 | 107869 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 482 | 4 | 0 | 7 | 5.7 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccco3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10840116 | 59653 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 538 | 5 | 0 | 8 | 5.8 | Cc1nc2cnccc2n1Cc1csc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)n1 | 10.1021/jm970389+ | ||
| CHEMBL173318 | 59653 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 538 | 5 | 0 | 8 | 5.8 | Cc1nc2cnccc2n1Cc1csc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)n1 | 10.1021/jm970389+ | ||
| 10650366 | 98023 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 5 | 0 | 7 | 4.5 | Cc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| CHEMBL275912 | 98023 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 5 | 0 | 7 | 4.5 | Cc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| 132299 | 201229 | 7 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 11 | 1 | 6 | 5.3 | CCOC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL62812 | 201229 | 7 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 11 | 1 | 6 | 5.3 | CCOC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 10815591 | 58954 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 4.0 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(O)nccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL170398 | 58954 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 4.0 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c(O)nccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 21463423 | 12319 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 630 | 24 | 1 | 5 | 9.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1185897 | 12319 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 630 | 24 | 1 | 5 | 9.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL440088 | 12319 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 630 | 24 | 1 | 5 | 9.0 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10839974 | 130095 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 531 | 7 | 0 | 9 | 3.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL368162 | 130095 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 531 | 7 | 0 | 9 | 3.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)N(C)C | 10.1021/jm970389+ | ||
| 44268181 | 11022 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178062 | 11022 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12399 | 11022 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 10327687 | 11023 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 616 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178067 | 11023 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 616 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12438 | 11023 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 616 | 24 | 1 | 5 | 8.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 | 10.1016/0960-894X(95)00174-R | ||
| 10601750 | 131584 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 7 | 0 | 8 | 3.8 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL369578 | 131584 | 0 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 7 | 0 | 8 | 3.8 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2CC(=O)N(C)C | 10.1021/jm970389+ | ||
| 10720833 | 59611 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 523 | 6 | 0 | 8 | 5.1 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OC(C)C)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL173157 | 59611 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 523 | 6 | 0 | 8 | 5.1 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OC(C)C)c23)cc1 | 10.1021/jm970389+ | ||
| 44330216 | 11270 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 6.1 | CN1C=C([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)C=CC1 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL1179776 | 11270 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 6.1 | CN1C=C([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)C=CC1 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL99395 | 11270 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 6.1 | CN1C=C([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)C=CC1 | 10.1016/0960-894X(95)00511-Q | ||
| 10341362 | 202016 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 12 | 0 | 7 | 4.8 | CCCCCCOc1c(OC)cc(C(=O)OCCc2scnc2C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67618 | 202016 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 12 | 0 | 7 | 4.8 | CCCCCCOc1c(OC)cc(C(=O)OCCc2scnc2C)cc1OC | 10.1021/jm00012a012 | ||
| 14983487 | 201716 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 500 | 8 | 0 | 4 | 7.2 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL65556 | 201716 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 500 | 8 | 0 | 4 | 7.2 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 118718615 | 114871 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 440 | 0 | 4 | 11 | -2.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm0203985 | ||
| CHEMBL3349895 | 114871 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 440 | 0 | 4 | 11 | -2.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(OC3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm0203985 | ||
| 3044918 | 201004 | 1 | None | - | 1 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 6.9 | CC1CSC2=C1c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL61627 | 201004 | 1 | None | - | 1 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 6.9 | CC1CSC2=C1c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 14983492 | 201191 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 481 | 9 | 1 | 4 | 6.1 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL62650 | 201191 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 481 | 9 | 1 | 4 | 6.1 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL109083 | 7950 | 0 | None | - | 1 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 343 | 8 | 1 | 7 | 2.7 | COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)C1C | 10.1021/jm00174a017 | ||
| 44330538 | 106796 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 5 | 1 | 8 | 4.7 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL317069 | 106796 | 0 | None | - | 1 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 5 | 1 | 8 | 4.7 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44330474 | 106695 | 0 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 9 | 0 | 8 | 7.2 | CN(C)C(=O)n1cc(/C(=N/OCCCN2CCCC2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL316463 | 106695 | 0 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 9 | 0 | 8 | 7.2 | CN(C)C(=O)n1cc(/C(=N/OCCCN2CCCC2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10074418 | 11202 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 366 | 13 | 0 | 4 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179267 | 11202 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 366 | 13 | 0 | 4 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL67016 | 11202 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 366 | 13 | 0 | 4 | 4.3 | CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1OC | 10.1021/jm00012a012 | ||
| 44353072 | 115033 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 638 | 4 | 3 | 13 | 1.0 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(C7(C(F)(F)F)N=N7)cc6)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL335310 | 115033 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 638 | 4 | 3 | 13 | 1.0 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(C7(C(F)(F)F)N=N7)cc6)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm020147w | ||
| 10619764 | 119818 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.8 | Cc1[nH]c2ccccc2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| CHEMBL352872 | 119818 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.8 | Cc1[nH]c2ccccc2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 | 10.1021/jm970389+ | ||
| 10459422 | 11949 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 14 | 0 | 5 | 4.3 | CCCCCCOc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OC | 10.1021/jm00012a012 | ||
| CHEMBL1183541 | 11949 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 14 | 0 | 5 | 4.3 | CCCCCCOc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OC | 10.1021/jm00012a012 | ||
| CHEMBL303480 | 11949 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 14 | 0 | 5 | 4.3 | CCCCCCOc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OC | 10.1021/jm00012a012 | ||
| 10625598 | 129153 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 513 | 5 | 0 | 8 | 4.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367393 | 129153 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 513 | 5 | 0 | 8 | 4.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 129796 | 99990 | 31 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00227-K | ||
| CHEMBL29067 | 99990 | 31 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 6.4 | CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl | 10.1016/0960-894X(95)00227-K | ||
| 9865147 | 101816 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 5 | 2 | 5 | 3.7 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CSC(c3cccnc3)N2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL303357 | 101816 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 5 | 2 | 5 | 3.7 | O=C(c1ccccc1)c1cccc(NC(=O)[C@@H]2CSC(c3cccnc3)N2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 10551723 | 129004 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 455 | 4 | 0 | 6 | 4.6 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(F)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL367295 | 129004 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 455 | 4 | 0 | 6 | 4.6 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(F)c23)cc1 | 10.1021/jm970389+ | ||
| 10625500 | 60023 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 6 | 0 | 8 | 4.7 | CCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL174479 | 60023 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 6 | 0 | 8 | 4.7 | CCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 44344131 | 10136 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@H](C)CCCO | 10.1021/jm00097a005 | ||
| CHEMBL116072 | 10136 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 566 | 15 | 1 | 9 | 5.3 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)C[C@H](C)CCCO | 10.1021/jm00097a005 | ||
| 10576375 | 59490 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 471 | 4 | 0 | 6 | 5.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL172697 | 59490 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 471 | 4 | 0 | 6 | 5.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1 | 10.1021/jm970389+ | ||
| 9987603 | 11026 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178073 | 11026 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12554 | 11026 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL321486 | 108696 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 6 | 1 | 6 | 3.1 | CCSCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1C | 10.1021/jm00174a017 | ||
| 10718881 | 131318 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 0 | 7 | 4.4 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C#N)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL369411 | 131318 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 0 | 7 | 4.4 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C#N)c23)cc1 | 10.1021/jm970389+ | ||
| 21463406 | 12261 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 524 | 25 | 0 | 5 | 7.7 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1185494 | 12261 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 524 | 25 | 0 | 5 | 7.7 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL417432 | 12261 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 524 | 25 | 0 | 5 | 7.7 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44330447 | 14629 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 709 | 7 | 1 | 10 | 6.8 | CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccc(S(=O)(=O)O)cc2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL1206856 | 14629 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 709 | 7 | 1 | 10 | 6.8 | CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccc(S(=O)(=O)O)cc2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL318009 | 14629 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 709 | 7 | 1 | 10 | 6.8 | CN(C)C(=O)n1cc(/C(=N/OC(=O)c2ccc(S(=O)(=O)O)cc2)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10555384 | 23074 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 6 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1CCN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| CHEMBL133197 | 23074 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 6 | 0 | 8 | 4.0 | Cc1nc2cnccc2n1CCN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | 10.1021/jm970389+ | ||
| 44330537 | 112108 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 579 | 7 | 2 | 8 | 5.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(C[C@H](N)C(=O)O)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL330219 | 112108 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 579 | 7 | 2 | 8 | 5.0 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(C[C@H](N)C(=O)O)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 44325254 | 205652 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL93807 | 205652 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CC(=O)N3[C@@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 44370480 | 47124 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 465 | 1 | 3 | 11 | -1.1 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5N=[N+]=[N-])[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL154481 | 47124 | 0 | None | - | 1 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 465 | 1 | 3 | 11 | -1.1 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5N=[N+]=[N-])[C@]21O | 10.1021/jm0203985 | ||
| 14983493 | 201015 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 5.7 | CNC(=O)CCN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL61678 | 201015 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 5.7 | CNC(=O)CCN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 14983501 | 201676 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 509 | 11 | 1 | 4 | 6.8 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL65199 | 201676 | 0 | None | - | 1 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 509 | 11 | 1 | 4 | 6.8 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 21463436 | 11021 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 645 | 24 | 1 | 5 | 9.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178061 | 11021 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 645 | 24 | 1 | 5 | 9.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12382 | 11021 | 0 | None | - | 1 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 645 | 24 | 1 | 5 | 9.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44353151 | 116498 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 1 | 3 | 10 | -0.9 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)CC1OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]132 | 10.1021/jm020147w | ||
| CHEMBL338808 | 116498 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 1 | 3 | 10 | -0.9 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)CC1OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]132 | 10.1021/jm020147w | ||
| 44353099 | 116301 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 634 | 5 | 3 | 12 | 1.1 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(C(=O)c7ccccc7)cc6)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL337840 | 116301 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 634 | 5 | 3 | 12 | 1.1 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(C(=O)c7ccccc7)cc6)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm020147w | ||
| 18755202 | 8786 | 5 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL109738 | 8786 | 5 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| 44267834 | 10979 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 25 | 0 | 4 | 9.5 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1177954 | 10979 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 25 | 0 | 4 | 9.5 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL8529 | 10979 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 25 | 0 | 4 | 9.5 | CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44330448 | 206619 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 596 | 5 | 0 | 8 | 6.4 | CN(C)C(=O)O/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL99481 | 206619 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 596 | 5 | 0 | 8 | 6.4 | CN(C)C(=O)O/N=C(\c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)N(C)C)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 10550254 | 59970 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 424 | 5 | 1 | 6 | 4.3 | COC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12 | 10.1021/jm970389+ | ||
| CHEMBL174262 | 59970 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 424 | 5 | 1 | 6 | 4.3 | COC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12 | 10.1021/jm970389+ | ||
| 131925 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80446-7 | ||
| CHEMBL299944 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80446-7 | ||
| 10766924 | 59647 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 475 | 8 | 0 | 8 | 4.5 | COC(=O)c1cccc2c1c(C(=O)CCCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL173304 | 59647 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 475 | 8 | 0 | 8 | 4.5 | COC(=O)c1cccc2c1c(C(=O)CCCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 10647327 | 167902 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 453 | 4 | 1 | 7 | 4.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(O)c23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL435115 | 167902 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 453 | 4 | 1 | 7 | 4.2 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(O)c23)cc1 | 10.1021/jm970389+ | ||
| 131925 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| CHEMBL299944 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1016/S0960-894X(01)80818-0 | ||
| 131925 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm00097a005 | ||
| CHEMBL299944 | 101302 | 12 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 12 | 1 | 9 | 3.9 | CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO | 10.1021/jm00097a005 | ||
| 21463481 | 11016 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 616 | 24 | 1 | 5 | 8.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178051 | 11016 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 616 | 24 | 1 | 5 | 8.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12119 | 11016 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 616 | 24 | 1 | 5 | 8.6 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10670617 | 165744 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 4 | 0 | 6 | 4.5 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL427121 | 165744 | 0 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 4 | 0 | 6 | 4.5 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1 | 10.1021/jm970389+ | ||
| 44370526 | 119223 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 530 | 3 | 3 | 11 | -0.2 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@H]5O)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL347597 | 119223 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 530 | 3 | 3 | 11 | -0.2 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccccc6)C34C(C(C)(C)C)[C@H]5O)[C@]21O | 10.1021/jm0203985 | ||
| 44325288 | 205469 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL92585 | 205469 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 3.9 | O=C(c1ccccc1)c1cccc(NC(=O)[C@H]2CC(=O)N3[C@H](c4cccnc4)SC[C@@H]23)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL108238 | 6343 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 299 | 5 | 1 | 6 | 2.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)C1C | 10.1021/jm00174a017 | ||
| 10437575 | 11207 | 0 | None | - | 1 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 10 | 0 | 5 | 4.9 | CCCCCCOc1c(OC)cc(C(=O)Oc2ccc3c(ccc[n+]3C)c2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179296 | 11207 | 0 | None | - | 1 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 10 | 0 | 5 | 4.9 | CCCCCCOc1c(OC)cc(C(=O)Oc2ccc3c(ccc[n+]3C)c2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL68407 | 11207 | 0 | None | - | 1 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 10 | 0 | 5 | 4.9 | CCCCCCOc1c(OC)cc(C(=O)Oc2ccc3c(ccc[n+]3C)c2)cc1OC | 10.1021/jm00012a012 | ||
| 10602311 | 128939 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2ccncc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL367160 | 128939 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 531 | 5 | 0 | 6 | 6.3 | Cc1nc2ccncc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| 44370810 | 119048 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 1 | 4 | 11 | -2.2 | CN[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O | 10.1021/jm0203985 | ||
| CHEMBL345909 | 119048 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 1 | 4 | 11 | -2.2 | CN[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O | 10.1021/jm0203985 | ||
| 14983480 | 201436 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 481 | 9 | 2 | 4 | 6.2 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCCC(=O)O)CC1 | 10.1021/jm00089a016 | ||
| CHEMBL64094 | 201436 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 481 | 9 | 2 | 4 | 6.2 | CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCCC(=O)O)CC1 | 10.1021/jm00089a016 | ||
| 45266349 | 193110 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2C[S+]([O-])[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| CHEMBL538366 | 193110 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2C[S+]([O-])[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| CHEMBL100004 | 4103 | 0 | None | 81 | 4 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 375 | 7 | 1 | 6 | 4.5 | CCO/C(O)=C1/C(C)=NC(C)=C(C(=O)OCCSc2ccccc2)C1C | 10.1021/jm00174a017 | ||
| 44330041 | 206607 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 590 | 7 | 2 | 8 | 5.1 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)NCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL99385 | 206607 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 590 | 7 | 2 | 8 | 5.1 | O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)NCCS(=O)(=O)O)c2cc(-c3ccc(F)cc3)ccc12 | 10.1016/0960-894X(95)00511-Q | ||
| 14983500 | 201851 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 10 | 1 | 4 | 6.5 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL66537 | 201851 | 0 | None | - | 1 | Guinea pig | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 10 | 1 | 4 | 6.5 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCC(=O)O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 1859 | 431 | 53 | None | 2 | 2 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00012a012 | ||
| 1860 | 431 | 53 | None | 2 | 2 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00012a012 | ||
| 65889 | 431 | 53 | None | 2 | 2 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00012a012 | ||
| CHEMBL280164 | 431 | 53 | None | 2 | 2 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00012a012 | ||
| 107757 | 1197 | 1 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00173-Q | ||
| 1852 | 1197 | 1 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1180101 | 1197 | 1 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00173-Q | ||
| 107757 | 1197 | 1 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00174-R | ||
| 1852 | 1197 | 1 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1180101 | 1197 | 1 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 25 | 1 | 6 | 7.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC | 10.1016/0960-894X(95)00174-R | ||
| 44330521 | 106733 | 0 | None | - | 1 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 499 | 4 | 0 | 8 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3nccs3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL316666 | 106733 | 0 | None | - | 1 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 499 | 4 | 0 | 8 | 5.5 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3nccs3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 4507 | 180096 | 96 | None | -8 | 4 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 5 | 1 | 7 | 2.6 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00174a017 | ||
| CHEMBL475534 | 180096 | 96 | None | -8 | 4 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 5 | 1 | 7 | 2.6 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00174a017 | ||
| 44330460 | 206670 | 0 | None | - | 1 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 583 | 7 | 1 | 8 | 5.8 | CN(C)C(=O)n1cc(/C(=N/OCC(=O)O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| CHEMBL99773 | 206670 | 0 | None | - | 1 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 583 | 7 | 1 | 8 | 5.8 | CN(C)C(=O)n1cc(/C(=N/OCC(=O)O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00511-Q | ||
| 10623837 | 60017 | 0 | None | - | 1 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 5 | 1 | 4 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| CHEMBL174454 | 60017 | 0 | None | - | 1 | Guinea pig | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 5 | 1 | 4 | 6.3 | Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1 | 10.1021/jm970389+ | ||
| 44370515 | 119207 | 0 | None | - | 1 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 482 | 1 | 3 | 12 | -1.8 | CC(=O)O[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O | 10.1021/jm0203985 | ||
| CHEMBL347433 | 119207 | 0 | None | - | 1 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 482 | 1 | 3 | 12 | -1.8 | CC(=O)O[C@@H]1C(C(C)(C)C)C23C(OC(=O)[C@@H]2O)OC24C(=O)OC1C32[C@@H](O)C1OC(=O)[C@@H](C)[C@@]14O | 10.1021/jm0203985 | ||
| 44353074 | 21135 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 643 | 4 | 3 | 12 | 1.3 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6c(F)c(F)c(N=[N+]=[N-])c(F)c6F)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL131402 | 21135 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 643 | 4 | 3 | 12 | 1.3 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6c(F)c(F)c(N=[N+]=[N-])c(F)c6F)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O | 10.1021/jm020147w | ||
| 10720226 | 129579 | 0 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 5 | 0 | 9 | 4.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)s1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367786 | 129579 | 0 | None | - | 1 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 5 | 0 | 9 | 4.4 | COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)s1)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 45266349 | 193110 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2C[S+]([O-])[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| CHEMBL538366 | 193110 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 526 | 4 | 0 | 6 | 5.2 | CN(C)C(=O)n1cc(C(=O)c2ccn3c2C[S+]([O-])[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 | 10.1016/0960-894X(95)00510-Z | ||
| 10370137 | 11199 | 0 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 14 | 0 | 5 | 4.6 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccccc2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL1179260 | 11199 | 0 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 14 | 0 | 5 | 4.6 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccccc2)cc1OC | 10.1021/jm00012a012 | ||
| CHEMBL66814 | 11199 | 0 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 14 | 0 | 5 | 4.6 | CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccccc2)cc1OC | 10.1021/jm00012a012 | ||
| 44370942 | 119140 | 0 | None | - | 1 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 439 | 0 | 4 | 11 | -2.4 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5N)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL346787 | 119140 | 0 | None | - | 1 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 439 | 0 | 4 | 11 | -2.4 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5N)[C@]21O | 10.1021/jm0203985 | ||
| 6324617 | 188972 | 34 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1021/jm0203985 | ||
| CHEMBL514432 | 188972 | 34 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O | 10.1021/jm0203985 | ||
| 5312127 | 62989 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1021/jm00097a005 | ||
| CHEMBL1793831 | 62989 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O | 10.1021/jm00097a005 | ||
| 44268122 | 11024 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178068 | 11024 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12439 | 11024 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12882 | 11024 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 618 | 24 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 | 10.1016/0960-894X(95)00174-R | ||
| 21463428 | 11020 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 26 | 1 | 4 | 10.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1178060 | 11020 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 26 | 1 | 4 | 10.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL12368 | 11020 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 26 | 1 | 4 | 10.4 | CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 | 10.1016/0960-894X(95)00173-Q | ||
| 10505183 | 129213 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 489 | 9 | 0 | 8 | 4.8 | COC(=O)c1cccc2c1c(C(=O)CCCCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| CHEMBL367425 | 129213 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 489 | 9 | 0 | 8 | 4.8 | COC(=O)c1cccc2c1c(C(=O)CCCCCCn1c(C)nc3cnccc31)cn2C(=O)N(C)C | 10.1021/jm970389+ | ||
| 44268105 | 11018 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 606 | 22 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1178055 | 11018 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 606 | 22 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL12183 | 11018 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 606 | 22 | 1 | 6 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 44268194 | 11854 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1182938 | 11854 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL273445 | 11854 | 0 | None | - | 1 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 634 | 24 | 1 | 6 | 8.3 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1 | 10.1016/0960-894X(95)00174-R | ||
| 44353145 | 116985 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 627 | 4 | 2 | 11 | 2.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| CHEMBL339997 | 116985 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 627 | 4 | 2 | 11 | 2.4 | C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6OCc3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)OC4(C(=O)O5)[C@@]12O | 10.1021/jm020147w | ||
| 21321140 | 201662 | 0 | None | - | 1 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 3 | 2 | 4 | 2.9 | CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)C)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL65089 | 201662 | 0 | None | - | 1 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 3 | 2 | 4 | 2.9 | CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)C)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL108291 | 6467 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 389 | 7 | 1 | 6 | 4.9 | CC1=NC(C)=C(C(=O)OCCSc2ccccc2)C(C)/C1=C(\O)OC(C)C | 10.1021/jm00174a017 | ||
| 14983483 | 201016 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 10 | 2 | 5 | 4.8 | CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| CHEMBL61680 | 201016 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 10 | 2 | 5 | 4.8 | CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C | 10.1021/jm00089a016 | ||
| 14983490 | 201667 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 466 | 8 | 1 | 4 | 5.1 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| CHEMBL65144 | 201667 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 466 | 8 | 1 | 4 | 5.1 | COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2 | 10.1021/jm00089a016 | ||
| 44267808 | 11860 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 22 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL1182959 | 11860 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 22 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| CHEMBL274110 | 11860 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 22 | 1 | 6 | 6.7 | CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1 | 10.1016/0960-894X(95)00173-Q | ||
| 44325239 | 205711 | 0 | None | - | 1 | Guinea pig | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@@H](c3cccnc3)SC[C@H]2[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| CHEMBL94138 | 205711 | 0 | None | - | 1 | Guinea pig | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 3.8 | CN1C(=O)N2[C@@H](c3cccnc3)SC[C@H]2[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)80753-8 | ||
| 1859 | 431 | 53 | None | 2 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00089a016 | ||
| 1860 | 431 | 53 | None | 2 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00089a016 | ||
| 65889 | 431 | 53 | None | 2 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00089a016 | ||
| CHEMBL280164 | 431 | 53 | None | 2 | 2 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 10.1021/jm00089a016 | ||
| 44268190 | 11844 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 655 | 24 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL1182836 | 11844 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 655 | 24 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| CHEMBL268965 | 11844 | 0 | None | - | 1 | Guinea pig | 7.0 | pKi | = | 7 | Binding | ChEMBL | 655 | 24 | 0 | 6 | 9.2 | CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 | 10.1016/0960-894X(95)00174-R | ||
| 44370798 | 49109 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 442 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5F)[C@]21O | 10.1021/jm0203985 | ||
| CHEMBL156402 | 49109 | 0 | None | - | 1 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 442 | 0 | 3 | 10 | -1.4 | C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C34C(C(C)(C)C)[C@H]5F)[C@]21O | 10.1021/jm0203985 | ||
| 44353152 | 18747 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5 | Binding | ChEMBL | 440 | 1 | 3 | 10 | -0.9 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)[C@@H](O)C1OC(=O)C3[C@]4(O)[C@H](C[C@]132)OC(=O)[C@H]4C | 10.1021/jm020147w | ||
| CHEMBL128592 | 18747 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5 | Binding | ChEMBL | 440 | 1 | 3 | 10 | -0.9 | COC1OC(=O)[C@H](O)C12[C@H](C(C)(C)C)[C@@H](O)C1OC(=O)C3[C@]4(O)[C@H](C[C@]132)OC(=O)[C@H]4C | 10.1021/jm020147w | ||
| 2451 | 109995 | 29 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | None | ||
| CHEMBL32479 | 109995 | 29 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | None | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 11560941 | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 11560941 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 11560941 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 11560941 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 11560941 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 11560941 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 1657923 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 7594622 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 11560941 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 1657923 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 7594622 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 11560941 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 1657923 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 7594622 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 11560941 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 1657923 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 7594622 | ||
| 146417 | 3325 | 7 | None | 54 | 2 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| 1839 | 3325 | 7 | None | 54 | 2 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| 1858 | 3325 | 7 | None | 54 | 2 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| CHEMBL64716 | 3325 | 7 | None | 54 | 2 | Human | 8.4 | pKd | None | 8.4 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| None | 214435 | 0 | 3H-PAF | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 480 | 10 | 0 | 8 | 4.5 | CCCOC1=C(C=C(C=C1S(=O)(=O)C)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC | None | ||
| 6069 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 73755171 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 6069 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 73755171 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 135398737 | 944 | 89 | 3H-PAF | -416 | 91 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-PAF | -416 | 91 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-PAF | -416 | 91 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-PAF | -416 | 91 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-PAF | -416 | 91 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1222 | 1634 | 44 | 3H-PAF | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3396 | 1634 | 44 | 3H-PAF | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 85 | 1634 | 44 | 3H-PAF | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL46516 | 1634 | 44 | 3H-PAF | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| DB04842 | 1634 | 44 | 3H-PAF | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 1353 | 1880 | 85 | 3H-PAF | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-PAF | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-PAF | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-PAF | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-PAF | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 135398745 | 2869 | 108 | 3H-PAF | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-PAF | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-PAF | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-PAF | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2181 | 3079 | 0 | 3H-PAF | -158 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3079 | 0 | 3H-PAF | -158 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3079 | 0 | 3H-PAF | -158 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3079 | 0 | 3H-PAF | -158 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3079 | 0 | 3H-PAF | -158 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 2337 | 3205 | 72 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2389 | 3279 | 114 | 3H-PAF | -2570 | 67 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-PAF | -2570 | 67 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-PAF | -2570 | 67 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-PAF | -2570 | 67 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-PAF | -2570 | 67 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2435 | 3533 | 78 | 3H-PAF | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3533 | 78 | 3H-PAF | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3533 | 78 | 3H-PAF | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3533 | 78 | 3H-PAF | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3533 | 78 | 3H-PAF | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 2865 | 4079 | 67 | 3H-PAF | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-PAF | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-PAF | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-PAF | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-PAF | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 103 | 4089 | 56 | 3H-PAF | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-PAF | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-PAF | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-PAF | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-PAF | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 115237 | 55296 | 113 | 3H-PAF | -776 | 54 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55296 | 113 | 3H-PAF | -776 | 54 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 46780481 | 107045 | 18 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 243 | 3153 | 85 | 3H-PAF | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3052762 | 3153 | 85 | 3H-PAF | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3502 | 3153 | 85 | 3H-PAF | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| CHEMBL117287 | 3153 | 85 | 3H-PAF | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| DB06480 | 3153 | 85 | 3H-PAF | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 44208932 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| None | 214752 | 0 | 3H-PAF | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
| 6069 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 73755171 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 6069 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 73755171 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| None | 214435 | 0 | 3H-PAF | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 480 | 10 | 0 | 8 | 4.5 | CCCOC1=C(C=C(C=C1S(=O)(=O)C)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC | None | ||
| 6069 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 73755171 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 2451 | 109995 | 29 | 3H-PAF | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | None | ||
| CHEMBL32479 | 109995 | 29 | 3H-PAF | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | None | ||
| None | 214470 | 0 | 3H-PAF | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 404 | 8 | 0 | 7 | 4.3 | COC1=CC(=CC(=C1OC)OC)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC | None | ||
| None | 214469 | 0 | 3H-PAF | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 356 | 6 | 0 | 5 | 3.8 | CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC | None | ||
| 1859 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 1860 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 65889 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| CHEMBL280164 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| None | 214469 | 0 | 3H-PAF | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 356 | 6 | 0 | 5 | 3.8 | CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC | None | ||
| 5556 | 201569 | 26 | 3H-PAF | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | None | ||
| CHEMBL646 | 201569 | 26 | 3H-PAF | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | None | ||
| 2118 | 201792 | 35 | 3H-PAF | 24 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| CHEMBL661 | 201792 | 35 | 3H-PAF | 24 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| None | 214470 | 0 | 3H-PAF | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 404 | 8 | 0 | 7 | 4.3 | COC1=CC(=CC(=C1OC)OC)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC | None | ||
| 6069 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 73755171 | 1 | 0 | 3H-PAF | 8 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | None | ||
| 1859 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 1860 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 65889 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| CHEMBL280164 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 4507 | 107589 | 96 | None | 1 | 4 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 360 | 5 | 1 | 7 | 3.4 | CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc([N+](=O)[O-])c1 | None | ||
| CHEMBL3195219 | 107589 | 96 | None | 1 | 4 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 360 | 5 | 1 | 7 | 3.4 | CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc([N+](=O)[O-])c1 | None | ||
| 2812 | 4711 | 96 | None | -69 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4711 | 96 | None | -69 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 65927 | 201533 | 19 | 3H-PAF | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1 | None | ||
| CHEMBL64449 | 201533 | 19 | 3H-PAF | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1 | None | ||
| 2118 | 201792 | 35 | 3H-PAF | 24 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| CHEMBL661 | 201792 | 35 | 3H-PAF | 24 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| 2118 | 201792 | 35 | None | 24 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| CHEMBL661 | 201792 | 35 | None | 24 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 308 | 1 | 0 | 4 | 3.6 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| 5556 | 201569 | 26 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | None | ||
| CHEMBL646 | 201569 | 26 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | None | ||
| 107681 | 1196 | 24 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | None | ||
| 6079 | 1196 | 24 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | None | ||
| CHEMBL295212 | 1196 | 24 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | None | ||
| 65927 | 201533 | 19 | 3H-PAF | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1 | None | ||
| CHEMBL64449 | 201533 | 19 | 3H-PAF | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 425 | 5 | 1 | 5 | 5.2 | O=C(c1ccccc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1 | None | ||
| 146157361 | 214471 | 0 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 424 | 0 | 3 | 10 | -1.4 | CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O | None | ||
| 107681 | 1196 | 24 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | None | ||
| 6079 | 1196 | 24 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | None | ||
| CHEMBL295212 | 1196 | 24 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC | None | ||
| 5556 | 201569 | 26 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | None | ||
| CHEMBL646 | 201569 | 26 | 3H-PAF | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 342 | 1 | 0 | 4 | 4.2 | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 | None | ||
| 1859 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 1860 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 65889 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| CHEMBL280164 | 431 | 53 | 3H-PAF | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | None | ||
| 2451 | 109995 | 29 | 3H-PAF | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | None | ||
| CHEMBL32479 | 109995 | 29 | 3H-PAF | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 392 | 1 | 0 | 5 | 4.4 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | None | ||
| 146157361 | 214471 | 0 | 3H-PAF | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 424 | 0 | 3 | 10 | -1.4 | CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O | None | ||
| 119368 | 1648 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 464 | 10 | 0 | 5 | 7.1 | CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C | 8395255 | ||
| 1856 | 1648 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 464 | 10 | 0 | 5 | 7.1 | CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C | 8395255 | ||
| CHEMBL1628662 | 1648 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 464 | 10 | 0 | 5 | 7.1 | CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C | 8395255 | ||
| 10103 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 16220969 | ||
| 133017 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 16220969 | ||
| 2413 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 16220969 | ||
| CHEMBL91397 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 16220969 | ||
| DB11614 | 3363 | 66 | None | -933 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 415 | 2 | 0 | 3 | 5.6 | Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 16220969 | ||
| 1862 | 1766 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 424 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C | 12190325 | ||
| 1862 | 1766 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 424 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C | 12570381 | ||
| 441294 | 1766 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 424 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C | 12190325 | ||
| 441294 | 1766 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 424 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C | 12570381 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8380690 | ||
| 1859 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8798529 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8380690 | ||
| 1860 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8798529 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8380690 | ||
| 65889 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8798529 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8380690 | ||
| CHEMBL280164 | 431 | 53 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 455 | 4 | 0 | 7 | 3.4 | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl | 8798529 | ||
| 3426 | 2203 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc(cc1S(=O)(=O)C)[C@@H]1CC[C@H](O1)c1cc(OC)c(c(c1)OC)OC | 2841449 | ||
| 9934870 | 2203 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 480 | 10 | 0 | 8 | 4.5 | CCCOc1c(OC)cc(cc1S(=O)(=O)C)[C@@H]1CC[C@H](O1)c1cc(OC)c(c(c1)OC)OC | 2841449 | ||
| 154087 | 229 | 14 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 9151941 | ||
| 1850 | 229 | 14 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 9151941 | ||
| CHEMBL369225 | 229 | 14 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 479 | 4 | 0 | 6 | 4.6 | C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2 | 9151941 | ||
| 1863 | 1767 | 0 | None | - | 1 | Mouse | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 440 | 0 | 4 | 11 | -2.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O | 12190325 | ||
| 441295 | 1767 | 0 | None | - | 1 | Mouse | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 440 | 0 | 4 | 11 | -2.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O | 12190325 | ||
| 1864 | 1768 | 0 | None | - | 1 | Mouse | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 424 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O | 12190325 | ||
| 441296 | 1768 | 0 | None | - | 1 | Mouse | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 424 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O | 12190325 | ||
| 1843 | 173 | 0 | None | - | 1 | Mouse | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 439 | 0 | 4 | 11 | -2.4 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)N | 12570381 | ||
| 73755017 | 173 | 0 | None | - | 1 | Mouse | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 439 | 0 | 4 | 11 | -2.4 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)N | 12570381 | ||
| 1846 | 175 | 0 | None | - | 1 | Mouse | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 482 | 1 | 3 | 12 | -1.8 | CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O | 12570381 | ||
| 73755020 | 175 | 0 | None | - | 1 | Mouse | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 482 | 1 | 3 | 12 | -1.8 | CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O | 12570381 | ||
| 1848 | 180 | 0 | None | - | 1 | Mouse | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 440 | 0 | 4 | 11 | -2.4 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)O | 12570381 | ||
| 58761009 | 180 | 0 | None | - | 1 | Mouse | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 440 | 0 | 4 | 11 | -2.4 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)O | 12570381 | ||
| 1847 | 176 | 0 | None | - | 1 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 558 | 3 | 3 | 12 | -0.6 | O=C(O[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O)Cc1ccccc1 | 12570381 | ||
| 73755021 | 176 | 0 | None | - | 1 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 558 | 3 | 3 | 12 | -0.6 | O=C(O[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O)Cc1ccccc1 | 12570381 | ||
| 1837 | 5 | 0 | None | - | 1 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 530 | 3 | 3 | 11 | -0.2 | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C | 12570381 | ||
| 73755012 | 5 | 0 | None | - | 1 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 530 | 3 | 3 | 11 | -0.2 | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C | 12570381 | ||
| 1844 | 171 | 0 | None | - | 1 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 467 | 2 | 4 | 11 | -1.8 | CCN[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O | 12570381 | ||
| 73755018 | 171 | 0 | None | - | 1 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 467 | 2 | 4 | 11 | -1.8 | CCN[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O | 12570381 | ||
| 1861 | 1765 | 0 | None | - | 1 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 408 | 0 | 2 | 9 | -0.3 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C | 12190325 | ||
| 441293 | 1765 | 0 | None | - | 1 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 408 | 0 | 2 | 9 | -0.3 | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C | 12190325 | ||
| 1841 | 169 | 0 | None | - | 1 | Mouse | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 442 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)F | 12570381 | ||
| 73755015 | 169 | 0 | None | - | 1 | Mouse | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 442 | 0 | 3 | 10 | -1.4 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)F | 12570381 | ||
| 1838 | 3 | 0 | None | - | 1 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 530 | 3 | 3 | 11 | -0.2 | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C | 12570381 | ||
| 73755013 | 3 | 0 | None | - | 1 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 530 | 3 | 3 | 11 | -0.2 | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C | 12570381 | ||
| 1845 | 172 | 0 | None | - | 1 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 453 | 1 | 4 | 11 | -2.2 | CN[C@@H]1C2OC(=O)[C@@]34C2(C2(C1C(C)(C)C)C(O3)OC(=O)[C@@H]2O)C(O)[C@H]1[C@]4(O)C(C(=O)O1)C | 12570381 | ||
| 73755019 | 172 | 0 | None | - | 1 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 453 | 1 | 4 | 11 | -2.2 | CN[C@@H]1C2OC(=O)[C@@]34C2(C2(C1C(C)(C)C)C(O3)OC(=O)[C@@H]2O)C(O)[C@H]1[C@]4(O)C(C(=O)O1)C | 12570381 | ||
| 1842 | 174 | 0 | None | - | 1 | Mouse | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | [N-]=[N]=N[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O | 12570381 | ||||
| 73755016 | 174 | 0 | None | - | 1 | Mouse | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | [N-]=[N]=N[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O | 12570381 | ||||
| 1836 | 4 | 0 | None | - | 1 | Mouse | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 514 | 3 | 2 | 10 | 0.9 | O=C1OC2C3([C@H]1OCc1ccccc1)C(CC1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)C(C)(C)C | 12570381 | ||
| 73755011 | 4 | 0 | None | - | 1 | Mouse | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 514 | 3 | 2 | 10 | 0.9 | O=C1OC2C3([C@H]1OCc1ccccc1)C(CC1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)C(C)(C)C | 12570381 | ||
| 115002 | 689 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 595 | 6 | 0 | 9 | 6.1 | COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl | 8380690 | ||
| 1851 | 689 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 595 | 6 | 0 | 9 | 6.1 | COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl | 8380690 | ||
| 1835 | 2 | 0 | None | - | 1 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 532 | 3 | 2 | 10 | 0.8 | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)F)C(C)(C)C | 12570381 | ||
| 73755010 | 2 | 0 | None | - | 1 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 532 | 3 | 2 | 10 | 0.8 | O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)F)C(C)(C)C | 12570381 | ||
| 1840 | 168 | 0 | None | - | 1 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 458 | 0 | 3 | 10 | -1.2 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)Cl | 12570381 | ||
| 73755014 | 168 | 0 | None | - | 1 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 458 | 0 | 3 | 10 | -1.2 | O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)Cl | 12570381 | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| 108156 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 8798529 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| 1831 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 8798529 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| 1833 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 8798529 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| CHEMBL1235246 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 8798529 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 1657923 | ||
| DB02261 | 2944 | 46 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 523 | 25 | 0 | 7 | 5.6 | CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-] | 8798529 | ||
| 146417 | 3325 | 7 | None | 54 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| 1839 | 3325 | 7 | None | 54 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| 1858 | 3325 | 7 | None | 54 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| CHEMBL64716 | 3325 | 7 | None | 54 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 355 | 3 | 1 | 4 | 4.6 | Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1 | 2831350 | ||
| 1849 | 228 | 1 | None | 6 | 2 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 8667228 | ||
| 9830503 | 228 | 1 | None | 6 | 2 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 8667228 | ||
| CHEMBL1183764 | 228 | 1 | None | 6 | 2 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 8667228 | ||
| CHEMBL317090 | 228 | 1 | None | 6 | 2 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 618 | 6 | 0 | 7 | 2.6 | CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-] | 8667228 | ||