Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
10367574 | 20717 | 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 | 20717 | 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 | 170513 | 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 | 170513 | 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 | 20365 | 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 | 20365 | 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 | 117240 | 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 | 117240 | 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 | 121755 | 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 | 121755 | 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 | 20300 | 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 | 20300 | 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 | 12126 | 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 | 175069 | 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 | 175069 | 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 | 117139 | 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 | 117139 | 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 | 118145 | 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 | 118145 | 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 | 120095 | 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 | 120095 | 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 | 20714 | 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 | 20714 | 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 | 20373 | 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 | 20373 | 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 | 16874 | 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 | 16874 | 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 | 174732 | 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 | 174732 | 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 | 68613 | 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 | 68613 | 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 | 17827 | 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 | 17827 | 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 | 20233 | 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 | 20233 | 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 | 114209 | 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 | 174711 | 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 | 174711 | 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 | 121365 | 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 | 121365 | 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 | 12023 | 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 | 20402 | 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 | 20402 | 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 | 12041 | 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 | 12041 | 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 | 20297 | 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 | 20297 | 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 | 20191 | 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 | 20191 | 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 | 20191 | 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 | 114074 | 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 | 114074 | 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 | 122266 | 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 | 122266 | 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 | 116658 | 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 | 116658 | 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 | 114074 | 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 | 114074 | 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 | 19003 | 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 | 19003 | 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 | 19003 | 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 | 104003 | 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 | 104003 | 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 | 104082 | 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 | 104082 | 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 | 104083 | 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 | 104083 | 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 | 18468 | 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 | 18468 | 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 | 18468 | 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 | 41714 | 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 | 41714 | 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 | 125897 | 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 | 125897 | 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 | 18433 | 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 | 18433 | 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 | 18433 | 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 | 18428 | 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 | 18428 | 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 | 18428 | 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 | 18944 | 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 | 18944 | 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 | 18944 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 168627 | 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 | 168627 | 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 | 175972 | 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 | 175972 | 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 | 17711 | 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 | 17711 | 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 | 20290 | 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 | 20290 | 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 | 20290 | 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 | 170664 | 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 | 170664 | 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 | 18459 | 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 | 18459 | 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 | 18459 | 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 | 11500 | 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 | 11500 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 18238 | 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 | 18238 | 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 | 18238 | 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 | 18238 | 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 | 11763 | 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 | 18479 | 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 | 18479 | 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 | 18479 | 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 | 18254 | 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 | 18254 | 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 | 18254 | 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 | 18424 | 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 | 18424 | 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 | 18424 | 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 | 18736 | 1 | 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 | 18736 | 1 | 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 | 18736 | 1 | 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 | 18253 | 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 | 18253 | 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 | 18253 | 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 | 18291 | 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 | 18291 | 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 | 18291 | 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 | 18958 | 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 | 18958 | 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 | 18958 | 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 | 28932 | 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 | 28932 | 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 | 122045 | 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 | 122045 | 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 | 18968 | 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 | 18968 | 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 | 18968 | 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 | 23603 | 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 | 23603 | 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 | 210039 | 27 | None | -26 | 5 | 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 | 210039 | 27 | None | -26 | 5 | 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 | 18745 | 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 | 18745 | 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 | 18745 | 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 | 209654 | 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 | 209654 | 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 | 176866 | 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 | 176866 | 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 | 17892 | 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 | 17892 | 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 | 17892 | 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 | 18088 | 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 | 18088 | 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 | 18088 | 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 | 178007 | 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 | 178007 | 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 | 18721 | 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 | 18721 | 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 | 18721 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 12165 | 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 | 12165 | 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 | 11504 | 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 | 11504 | 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 | 11461 | 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 | 11461 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 215219 | 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 | 215219 | 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 | 11044 | 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 | 11044 | 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 | 104003 | 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 | 104003 | 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 | 209590 | 6 | 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 | 209590 | 6 | 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 | 105414 | 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 | 105414 | 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 | 30531 | 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 | 30531 | 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 | 17909 | 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 | 17909 | 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 | 17909 | 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 | 18834 | 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 | 18834 | 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 | 18834 | 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 | 108113 | 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 | 108113 | 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 | 108225 | 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 | 108225 | 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 | 185945 | 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 | 185945 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 209780 | 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 | 209780 | 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 | 103847 | 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 | 103847 | 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 | 19139 | 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 | 19139 | 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 | 19139 | 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 | 21432 | 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 | 21432 | 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 | 185312 | 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 | 185312 | 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 | 18491 | 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 | 18491 | 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 | 18491 | 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 | 18491 | 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 | 12101 | 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 | 12101 | 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 | 12661 | 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 | 12661 | 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 | 11475 | 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 | 11475 | 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 | 31121 | 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 | 31121 | 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 | 117401 | 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 | 117401 | 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 | 11163 | 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 | 11163 | 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 | 179783 | 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 | 179783 | 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 | 146963 | 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 | 146963 | 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 | 209835 | 3 | 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 | 209835 | 3 | 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 | 20135 | 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 | 20135 | 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 | 20135 | 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 | 18295 | 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 | 18295 | 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 | 18295 | 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 | 18933 | 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 | 18933 | 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 | 18933 | 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 | 117439 | 37 | 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 | 117439 | 37 | 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 | 176022 | 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 | 176022 | 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 | 185537 | 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 | 185537 | 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 | 170115 | 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 | 170115 | 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 | 18810 | 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 | 18810 | 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 | 18810 | 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 | 18732 | 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 | 18732 | 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 | 18732 | 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 | 18071 | 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 | 18071 | 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 | 18071 | 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 | 103863 | 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 | 103863 | 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 | 17197 | 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 | 17197 | 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 | 18748 | 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 | 18748 | 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 | 13235 | 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 | 13235 | 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 | 117725 | 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 | 117725 | 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 | 11094 | 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 | 11094 | 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 | 114274 | 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 | 114274 | 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 | 18238 | 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 | 18238 | 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 | 18238 | 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 | 18238 | 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 | 209536 | 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 | 209536 | 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 | 18251 | 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 | 18251 | 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 | 18251 | 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 | 18283 | 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 | 18283 | 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 | 18283 | 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 | 38418 | 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 | 38418 | 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 | 12182 | 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 | 12182 | 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 | 179441 | 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 | 179441 | 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 | 18271 | 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 | 18271 | 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 | 18271 | 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 | 18292 | 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 | 18292 | 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 | 18292 | 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 | 18951 | 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 | 18951 | 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 | 18951 | 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 | 18445 | 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 | 18445 | 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 | 18445 | 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 | 185427 | 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 | 185427 | 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 | 17895 | 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 | 17895 | 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 | 17895 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 17884 | 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 | 17884 | 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 | 17884 | 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 | 108065 | 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 | 108065 | 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 | 173105 | 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 | 173105 | 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 | 17251 | 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 | 17251 | 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 | 122564 | 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 | 122564 | 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 | 18489 | 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 | 18489 | 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 | 18489 | 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 | 18494 | 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 | 18494 | 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 | 18494 | 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 | 116571 | 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 | 116571 | 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 | 18276 | 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 | 18276 | 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 | 18276 | 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 | 18282 | 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 | 18282 | 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 | 18282 | 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 | 18282 | 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 | 115164 | 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 | 114261 | 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 | 114261 | 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 | 108226 | 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 | 108226 | 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 | 18460 | 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 | 18460 | 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 | 18460 | 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 | 18290 | 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 | 18290 | 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 | 18290 | 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 | 84220 | 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 | 84220 | 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 | 18418 | 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 | 18418 | 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 | 18418 | 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 | 175730 | 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 | 175730 | 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 | 11487 | 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 | 11487 | 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 | 11241 | 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 | 11241 | 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 | 108096 | 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 | 108096 | 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 | 16989 | 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 | 16989 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 18454 | 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 | 18454 | 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 | 18454 | 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 | 170264 | 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 | 170264 | 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 | 18427 | 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 | 18427 | 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 | 18427 | 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 | 18940 | 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 | 18940 | 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 | 18940 | 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 | 18083 | 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 | 18083 | 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 | 18083 | 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 | 175962 | 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 | 175962 | 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 | 70269 | 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 | 70269 | 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 | 185763 | 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 | 185763 | 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 | 19601 | 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 | 19601 | 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 | 11055 | 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 | 11055 | 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 | 175897 | 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 | 114282 | 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 | 114282 | 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 | 179453 | 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 | 179453 | 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 | 120904 | 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 | 120904 | 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 | 209540 | 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 | 209540 | 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 | 18237 | 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 | 18237 | 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 | 18237 | 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 | 18241 | 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 | 18241 | 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 | 18241 | 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 | 20643 | 9 | 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 | 20643 | 9 | 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 | 20643 | 9 | 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 | 19186 | 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 | 19186 | 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 | 19186 | 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 | 108204 | 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 | 108204 | 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 | 209617 | 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 | 209617 | 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 | 107868 | 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 | 107868 | 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 | 173597 | 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 | 173597 | 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 | 11444 | 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 | 11444 | 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 | 11449 | 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 | 11449 | 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 | 11056 | 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 | 11056 | 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 | 11550 | 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 | 11550 | 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 | 18264 | 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 | 18264 | 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 | 18264 | 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 | 18264 | 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 | 37663 | 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 | 37663 | 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 | 106541 | 37 | 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 | 106541 | 37 | 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 | 190693 | 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 | 190693 | 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 | 11777 | 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 | 189098 | 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 | 189098 | 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 | 189098 | 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 | 107170 | 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 | 107170 | 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 | 17889 | 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 | 17889 | 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 | 17889 | 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 | 18282 | 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 | 18282 | 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 | 18282 | 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 | 18282 | 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 | 104870 | 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 | 104870 | 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 | 18465 | 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 | 18465 | 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 | 18465 | 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 | 18857 | 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 | 18857 | 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 | 18857 | 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 | 20382 | 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 | 20382 | 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 | 20382 | 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 | 20450 | 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 | 20450 | 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 | 20450 | 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 | 29950 | 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 | 29950 | 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 | 18243 | 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 | 18243 | 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 | 18243 | 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 | 18965 | 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 | 18965 | 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 | 18965 | 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 | 107892 | 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 | 107892 | 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 | 103425 | 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 | 103425 | 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 | 188430 | 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 | 188430 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 18467 | 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 | 18467 | 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 | 18467 | 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 | 103338 | 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 | 103338 | 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 | 19571 | 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 | 19571 | 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 | 116633 | 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 | 116633 | 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 | 11761 | 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 | 17308 | 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 | 17308 | 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 | 20386 | 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 | 20386 | 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 | 20857 | 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 | 20857 | 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 | 12105 | 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 | 123797 | 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 | 123797 | 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 | 21414 | 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 | 21414 | 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 | 11150 | 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 | 11150 | 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 | 10997 | 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 | 10997 | 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 | 11074 | 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 | 11074 | 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 | 11150 | 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 | 11150 | 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 | 114611 | 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 | 114611 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 117598 | 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 | 117598 | 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 | 122275 | 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 | 122275 | 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 | 11857 | 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 | 11857 | 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 | 108040 | 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 | 108040 | 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 | 18450 | 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 | 18450 | 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 | 18450 | 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 | 18297 | 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 | 18297 | 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 | 18297 | 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 | 18073 | 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 | 18073 | 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 | 18073 | 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 | 175875 | 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 | 175875 | 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 | 18444 | 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 | 18444 | 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 | 18444 | 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 | 18288 | 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 | 18288 | 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 | 18288 | 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 | 84270 | 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 | 84270 | 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 | 185412 | 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 | 185412 | 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 | 11516 | 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 | 11516 | 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 | 20160 | 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 | 20160 | 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 | 20160 | 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 | 123369 | 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 | 123369 | 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 | 124854 | 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 | 124854 | 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 | 117143 | 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 | 117143 | 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 | 18491 | 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 | 18491 | 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 | 18491 | 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 | 18491 | 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 | 11516 | 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 | 11516 | 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 | 103587 | 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 | 103587 | 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 | 17894 | 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 | 17894 | 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 | 17894 | 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 | 201350 | 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 | 201350 | 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 | 20939 | 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 | 20939 | 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 | 20939 | 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 | 107923 | 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 | 107923 | 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 | 18939 | 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 | 18939 | 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 | 18939 | 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 | 20939 | 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 | 20939 | 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 | 20939 | 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 | 18070 | 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 | 18070 | 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 | 18070 | 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 | 18239 | 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 | 18239 | 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 | 18239 | 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 | 18277 | 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 | 18277 | 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 | 18277 | 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 | 84779 | 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 | 84779 | 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 | 29377 | 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 | 29377 | 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 | 108248 | 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 | 108248 | 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 | 108007 | 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 | 108007 | 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 | 185840 | 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 | 185840 | 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 | 17882 | 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 | 17882 | 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 | 17882 | 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 | 12201 | 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 | 12201 | 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 | 174645 | 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 | 174645 | 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 | 18423 | 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 | 18423 | 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 | 18423 | 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 | 18238 | 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 | 18238 | 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 | 18238 | 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 | 18238 | 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 | 11933 | 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 | 20113 | 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 | 20113 | 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 | 20113 | 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 | 20549 | 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 | 20549 | 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 | 20549 | 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 | 185758 | 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 | 185758 | 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 | 210264 | 36 | None | -42 | 4 | 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 | 210264 | 36 | None | -42 | 4 | 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 | 18080 | 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 | 18080 | 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 | 18080 | 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 | 17881 | 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 | 17881 | 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 | 17881 | 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 | 123006 | 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 | 123006 | 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 | 12177 | 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 | 12177 | 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 | 122207 | 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 | 122207 | 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 | 178141 | 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 | 178141 | 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 | 29596 | 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 | 29596 | 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 | 18481 | 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 | 18481 | 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 | 18481 | 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 | 18236 | 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 | 18236 | 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 | 18236 | 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 | 19917 | 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 | 19917 | 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 | 19917 | 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 | 108082 | 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 | 108082 | 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 | 29627 | 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 | 29627 | 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 | 31159 | 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 | 31159 | 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 | 18226 | 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 | 18226 | 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 | 18226 | 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 | 20217 | 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 | 20217 | 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 | 20217 | 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 | 20320 | 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 | 20320 | 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 | 20320 | 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 | 26391 | 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 | 26391 | 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 | 30932 | 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 | 30932 | 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 | 104111 | 3 | 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 | 104111 | 3 | 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 | 17307 | 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 | 17307 | 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 | 18234 | 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 | 18234 | 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 | 18234 | 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 | 18492 | 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 | 18492 | 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 | 18492 | 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 | 115996 | 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 | 115996 | 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 | 197669 | 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 | 197669 | 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 | 172216 | 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 | 172216 | 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 | 18284 | 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 | 18284 | 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 | 18284 | 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 | 20319 | 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 | 20319 | 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 | 20319 | 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 | 29593 | 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 | 29593 | 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 | 209785 | 5 | 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 | 209785 | 5 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 20641 | 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 | 20641 | 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 | 20641 | 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 | 31188 | 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 | 31188 | 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 | 117443 | 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 | 117443 | 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 | 115122 | 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 | 115122 | 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 | 11493 | 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 | 11493 | 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 | 11540 | 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 | 11540 | 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 | 18250 | 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 | 18250 | 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 | 18250 | 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 | 122780 | 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 | 122780 | 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 | 18464 | 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 | 18464 | 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 | 18464 | 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 | 118046 | 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 | 118046 | 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 | 19886 | 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 | 19886 | 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 | 19886 | 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 | 20647 | 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 | 20647 | 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 | 20647 | 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 | 30556 | 16 | 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 | 30556 | 16 | 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 | 30981 | 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 | 30981 | 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 | 32042 | 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 | 32042 | 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 | 174243 | 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 | 174243 | 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 | 215174 | 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 | 215174 | 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 | 176234 | 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 | 176234 | 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 | 18239 | 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 | 18239 | 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 | 18239 | 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 | 18707 | 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 | 18707 | 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 | 18707 | 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 | 108255 | 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 | 108255 | 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 | 18930 | 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 | 18930 | 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 | 18930 | 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 | 117978 | 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 | 117978 | 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 | 18743 | 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 | 18743 | 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 | 18743 | 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 | 115409 | 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 | 115409 | 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 | 29530 | 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 | 29530 | 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 | 168553 | 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 | 168553 | 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 | 18245 | 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 | 18245 | 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 | 18245 | 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 | 176269 | 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 | 176269 | 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 | 117466 | 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 | 117466 | 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 | 11037 | 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 | 11037 | 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 | 104081 | 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 | 104081 | 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 | 96305 | 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 | 96305 | 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 | 197187 | 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 | 197187 | 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 | 197382 | 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 | 197382 | 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 | 197532 | 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 | 197532 | 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 | 198883 | 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 | 198883 | 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 | 199279 | 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 | 199279 | 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 | 17646 | 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 | 17646 | 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 | 20538 | 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 | 20538 | 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 | 20538 | 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 | 18470 | 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 | 18470 | 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 | 18470 | 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 | 18928 | 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 | 18928 | 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 | 18928 | 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 | 38938 | 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 | 38938 | 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 | 103725 | 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 | 103725 | 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 | 108252 | 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 | 108252 | 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 | 17897 | 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 | 17897 | 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 | 17897 | 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 | 108284 | 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 | 108284 | 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 | 10989 | 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 | 10989 | 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 | 17904 | 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 | 17904 | 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 | 17904 | 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 | 102485 | 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 | 102485 | 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 | 104004 | 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 | 104004 | 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 | 18082 | 1 | 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 | 18082 | 1 | 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 | 18082 | 1 | 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 | 179328 | 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 | 179328 | 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 | 11621 | 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 | 117477 | 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 | 117477 | 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 | 19329 | 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 | 19329 | 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 | 12053 | 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 | 12053 | 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 | 114239 | 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 | 114239 | 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 | 116534 | 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 | 116534 | 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 | 19092 | 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 | 19092 | 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 | 19540 | 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 | 19540 | 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 | 116525 | 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 | 116525 | 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 | 10974 | 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 | 10974 | 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 | 11464 | 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 | 11464 | 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 | 11495 | 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 | 11495 | 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 | 185854 | 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 | 185854 | 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 | 70093 | 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 | 70093 | 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 | 116547 | 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 | 116547 | 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 | 185226 | 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 | 185226 | 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 | 18232 | 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 | 18232 | 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 | 18232 | 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 | 18942 | 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 | 18942 | 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 | 18942 | 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 | 18488 | 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 | 18488 | 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 | 18488 | 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 | 11378 | 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 | 11378 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 209553 | 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 | 209553 | 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 | 18249 | 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 | 18249 | 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 | 18249 | 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 | 18949 | 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 | 18949 | 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 | 18949 | 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 | 20245 | 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 | 20245 | 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 | 20245 | 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 | 11034 | 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 | 11034 | 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 | 114045 | 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 | 114045 | 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 | 103809 | 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 | 103809 | 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 | 12189 | 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 | 12189 | 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 | 18244 | 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 | 18244 | 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 | 18244 | 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 | 36124 | 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 | 36124 | 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 | 108131 | 19 | 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 | 108131 | 19 | 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 | 120102 | 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 | 120102 | 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 | 108306 | 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 | 108306 | 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 | 215196 | 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 | 215196 | 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 | 27775 | 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 | 27775 | 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 | 121598 | 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 | 121598 | 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 | 16903 | 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 | 16903 | 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 | 114097 | 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 | 114097 | 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 | 18733 | 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 | 18733 | 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 | 18733 | 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 | 179530 | 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 | 179530 | 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 | 20550 | 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 | 20550 | 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 | 20550 | 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 | 20620 | 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 | 20620 | 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 | 20620 | 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 | 123397 | 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 | 123397 | 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 | 215201 | 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 | 215201 | 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 | 11458 | 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 | 11458 | 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 | 28274 | 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 | 28274 | 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 | 18932 | 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 | 18932 | 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 | 18932 | 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 | 17891 | 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 | 17891 | 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 | 17891 | 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 | 100805 | 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 | 100805 | 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 | 18435 | 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 | 18435 | 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 | 18435 | 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 | 18270 | 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 | 18270 | 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 | 18270 | 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 | 21319 | 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 | 21319 | 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 | 11521 | 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 | 11521 | 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 | 104080 | 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 | 104080 | 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 | 187270 | 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 | 187270 | 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 | 17887 | 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 | 17887 | 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 | 17887 | 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 | 16986 | 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 | 16986 | 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 | 209824 | 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 | 209824 | 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 | 18285 | 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 | 18285 | 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 | 18285 | 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 | 18255 | 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 | 18255 | 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 | 18255 | 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 | 174607 | 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 | 174607 | 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 | 17890 | 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 | 17890 | 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 | 17890 | 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 | 108283 | 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 | 108283 | 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 | 17091 | 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 | 17091 | 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 | 19515 | 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 | 19515 | 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 | 20420 | 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 | 20420 | 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 | 119791 | 1 | 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 | 119791 | 1 | 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 | 19150 | 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 | 19150 | 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 | 19150 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 18257 | 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 | 18257 | 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 | 18257 | 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 | 18257 | 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 | 20932 | 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 | 20932 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 19007 | 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 | 19007 | 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 | 19007 | 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 | 11028 | 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 | 11028 | 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 | 209668 | 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 | 209668 | 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 | 20518 | 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 | 20518 | 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 | 20518 | 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 | 11474 | 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 | 11474 | 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 | 185650 | 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 | 185650 | 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 | 184483 | 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 | 184483 | 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 | 11518 | 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 | 11518 | 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 | 170075 | 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 | 170075 | 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 | 18478 | 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 | 18478 | 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 | 18478 | 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 | 121866 | 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 | 121866 | 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 | 108287 | 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 | 108287 | 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 | 11689 | 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 | 11689 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 11436 | 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 | 11436 | 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 | 209816 | 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 | 209816 | 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 | 209567 | 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 | 209567 | 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 | 107235 | 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 | 107235 | 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 | 18996 | 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 | 18996 | 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 | 18996 | 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 | 18185 | 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 | 18185 | 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 | 11497 | 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 | 11497 | 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 | 20244 | 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 | 20244 | 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 | 20244 | 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 | 29390 | 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 | 29390 | 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 | 120061 | 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 | 120061 | 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 | 20771 | 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 | 20771 | 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 | 20771 | 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 | 92300 | 3 | 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 | 92300 | 3 | 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 | 11486 | 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 | 11486 | 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 | 30346 | 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 | 30346 | 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 | 185387 | 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 | 185387 | 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 | 171070 | 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 | 171070 | 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 | 82185 | 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 | 82185 | 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 | 18260 | 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 | 18260 | 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 | 18260 | 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 | 178566 | 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 | 178566 | 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 | 19694 | 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 | 19694 | 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 | 19694 | 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 | 115340 | 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 | 18941 | 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 | 18941 | 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 | 18941 | 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 | 121320 | 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 | 121320 | 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 | 174888 | 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 | 174888 | 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 | 115548 | 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 | 115548 | 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 | 120579 | 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 | 120579 | 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 | 120581 | 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 | 120581 | 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 | 116652 | 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 | 116652 | 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 | 116470 | 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 | 116470 | 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 | 20383 | 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 | 20383 | 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 | 20383 | 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 | 104952 | 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 | 104952 | 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 | 103675 | 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 | 103675 | 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 | 20601 | 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 | 20601 | 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 | 20601 | 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 | 18497 | 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 | 18497 | 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 | 18497 | 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 | 170230 | 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 | 170230 | 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 | 185898 | 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 | 185898 | 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 | 17901 | 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 | 17901 | 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 | 17901 | 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 | 18246 | 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 | 18246 | 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 | 18246 | 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 | 20136 | 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 | 20136 | 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 | 20136 | 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 | 28340 | 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 | 28340 | 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 | 19918 | 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 | 19918 | 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 | 19918 | 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 | 31044 | 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 | 31044 | 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 | 185227 | 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 | 185227 | 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 | 11529 | 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 | 11529 | 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 | 11529 | 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 | 11529 | 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 | 29609 | 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 | 29609 | 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 | 29609 | 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 | 177633 | 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 | 177633 | 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 | 18957 | 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 | 18957 | 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 | 18957 | 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 | 108133 | 13 | 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 | 108133 | 13 | 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 | 108133 | 13 | 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 | 108133 | 13 | 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 | 18943 | 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 | 18943 | 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 | 18943 | 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 | 18440 | 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 | 18440 | 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 | 18440 | 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 | 185912 | 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 | 185912 | 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 | 30394 | 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 | 30394 | 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 | 120595 | 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 | 120595 | 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 | 11079 | 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 | 11079 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 20445 | 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 | 20445 | 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 | 20445 | 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 | 18252 | 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 | 18252 | 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 | 18252 | 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 | 17899 | 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 | 17899 | 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 | 17899 | 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 | 11361 | 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 | 11361 | 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 | 108164 | 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 | 108164 | 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 | 18486 | 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 | 18486 | 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 | 18486 | 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 | 17898 | 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 | 17898 | 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 | 17898 | 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 | 17902 | 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 | 17902 | 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 | 17902 | 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 | 17907 | 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 | 17907 | 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 | 17907 | 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 | 17893 | 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 | 17893 | 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 | 17893 | 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 | 179439 | 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 | 179439 | 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 | 32158 | 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 | 32158 | 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 | 19197 | 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 | 19197 | 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 | 19197 | 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 | 179362 | 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 | 179362 | 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 | 12060 | 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 | 12060 | 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 | 19006 | 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 | 19006 | 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 | 19006 | 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 | 169769 | 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 | 169769 | 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 | 18664 | 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 | 18664 | 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 | 116240 | 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 | 120096 | 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 | 120096 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 20289 | 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 | 20289 | 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 | 20289 | 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 | 209668 | 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 | 209668 | 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 | 174840 | 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 | 121209 | 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 | 121209 | 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 | 18287 | 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 | 18287 | 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 | 18287 | 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 | 18293 | 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 | 18293 | 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 | 18293 | 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 | 18432 | 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 | 18432 | 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 | 18432 | 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 | 18731 | 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 | 18731 | 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 | 18731 | 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 | 10324 | 38 | 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 | 10324 | 38 | 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 | 10324 | 38 | 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 | 108099 | 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 | 108099 | 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 | 185852 | 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 | 185852 | 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 | 107291 | 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 | 107291 | 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 | 114206 | 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 | 114206 | 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 | 20041 | 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 | 20041 | 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 | 20041 | 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 | 179514 | 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 | 179514 | 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 | 11109 | 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 | 11109 | 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 | 18449 | 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 | 18449 | 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 | 18449 | 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 | 106990 | 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 | 106990 | 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 | 185603 | 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 | 185603 | 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 | 179329 | 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 | 179329 | 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 | 108195 | 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 | 108195 | 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 | 17855 | 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 | 17855 | 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 | 17855 | 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 | 18562 | 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 | 18562 | 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 | 185582 | 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 | 185582 | 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 | 185868 | 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 | 185868 | 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 | 20448 | 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 | 20448 | 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 | 126212 | 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 | 126212 | 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 | 108126 | 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 | 108126 | 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 | 18483 | 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 | 18483 | 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 | 18483 | 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 | 11435 | 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 | 11435 | 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 | 125112 | 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 | 125112 | 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 | 179450 | 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 | 179450 | 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 | 18431 | 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 | 18431 | 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 | 18431 | 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 | 180331 | 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 | 180331 | 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 | 17888 | 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 | 17888 | 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 | 17888 | 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 | 17906 | 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 | 17906 | 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 | 17906 | 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 | 18496 | 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 | 18496 | 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 | 18496 | 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 | 84903 | 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 | 84903 | 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 | 108118 | 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 | 108118 | 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 | 30729 | 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 | 30729 | 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 | 18286 | 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 | 18286 | 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 | 18286 | 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 | 11742 | 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 | 11742 | 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 | 209668 | 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 | 209668 | 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 | 18934 | 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 | 18934 | 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 | 18934 | 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 | 18235 | 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 | 18235 | 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 | 18235 | 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 | 29356 | 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 | 29356 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 18931 | 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 | 18931 | 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 | 18931 | 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 | 28684 | 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 | 28684 | 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 | 11082 | 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 | 11082 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 172140 | 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 | 172140 | 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 | 215195 | 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 | 215195 | 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 | 115271 | 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 | 115271 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 172112 | 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 | 172112 | 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 | 11508 | 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 | 11508 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 18434 | 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 | 18434 | 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 | 18434 | 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 | 11476 | 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 | 11476 | 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 | 185255 | 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 | 185255 | 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 | 18257 | 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 | 18257 | 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 | 18257 | 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 | 18257 | 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 | 114170 | 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 | 114246 | 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 | 18264 | 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 | 18264 | 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 | 18264 | 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 | 18264 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 18261 | 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 | 11270 | 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 | 11270 | 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 | 114205 | 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 | 114205 | 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 | 102441 | 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 | 102441 | 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 | 209540 | 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 | 209540 | 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 | 19148 | 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 | 19148 | 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 | 19148 | 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 | 19145 | 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 | 19145 | 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 | 19145 | 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 | 40549 | 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 | 40549 | 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 | 177604 | 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 | 177604 | 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 | 170103 | 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 | 170103 | 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 | 41752 | 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 | 41752 | 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 | 11081 | 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 | 11081 | 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 | 18458 | 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 | 18458 | 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 | 18458 | 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 | 18259 | 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 | 18259 | 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 | 18259 | 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 | 18953 | 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 | 18953 | 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 | 18953 | 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 | 18247 | 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 | 18247 | 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 | 18247 | 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 | 18451 | 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 | 18451 | 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 | 18451 | 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 | 17903 | 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 | 17903 | 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 | 17903 | 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 | 69949 | 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 | 69949 | 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 | 69949 | 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 | 117106 | 2 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.7 | Cc1nc2cnccc2n1-c1ccccc1 | 10.1021/jm00018a011 | ||
CHEMBL323940 | 117106 | 2 | None | - | 1 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 2.7 | Cc1nc2cnccc2n1-c1ccccc1 | 10.1021/jm00018a011 | ||
44372031 | 18452 | 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 | 18452 | 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 | 18452 | 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 | 18278 | 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 | 18278 | 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 | 18278 | 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 | 18988 | 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 | 18988 | 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 | 18988 | 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 | 20419 | 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 | 20419 | 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 | 20419 | 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 | 11494 | 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 | 11494 | 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 | 11258 | 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 | 11258 | 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 | 18240 | 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 | 18240 | 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 | 18240 | 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 | 18984 | 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 | 18984 | 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 | 18984 | 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 | 20349 | 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 | 20349 | 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 | 20349 | 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 | 114339 | 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 | 114339 | 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 | 128284 | 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 | 128284 | 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 | 107994 | 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 | 107994 | 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 | 209540 | 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 | 209540 | 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 | 18457 | 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 | 18457 | 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 | 18457 | 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 | 116323 | 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 | 116323 | 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 | 116323 | 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 | 11029 | 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 | 11029 | 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 | 11400 | 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 | 11400 | 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 | 116323 | 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 | 116323 | 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 | 116323 | 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 | 19010 | 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 | 19010 | 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 | 19010 | 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 | 185415 | 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 | 185415 | 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 | 74537 | 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 | 74537 | 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 | 108158 | 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 | 108158 | 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 | 30514 | 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 | 30514 | 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 | 184128 | 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 | 184128 | 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 | 108184 | 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 | 108184 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 85124 | 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 | 85124 | 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 | 85124 | 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 | 107899 | 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 | 107899 | 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 | 18437 | 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 | 18437 | 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 | 18437 | 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 | 20416 | 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 | 20416 | 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 | 20416 | 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 | 185656 | 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 | 185656 | 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 | 18442 | 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 | 18442 | 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 | 18442 | 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 | 18698 | 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 | 18698 | 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 | 18698 | 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 | 18737 | 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 | 18737 | 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 | 18737 | 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 | 107958 | 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 | 107958 | 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 | 18485 | 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 | 18485 | 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 | 18485 | 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 | 18296 | 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 | 18296 | 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 | 18296 | 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 | 209617 | 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 | 209617 | 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 | 17905 | 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 | 17905 | 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 | 17905 | 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 | 17896 | 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 | 17896 | 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 | 17896 | 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 | 18422 | 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 | 18422 | 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 | 18422 | 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 | 103463 | 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 | 103463 | 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 | 18446 | 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 | 18446 | 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 | 18446 | 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 | 18081 | 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 | 18081 | 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 | 18081 | 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 | 108010 | 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 | 108010 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 18248 | 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 | 18248 | 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 | 18248 | 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 | 178996 | 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 | 178996 | 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 | 190294 | 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 | 190294 | 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 | 209764 | 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 | 209764 | 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 | 215079 | 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 | 215079 | 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 | 209899 | 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 | 209899 | 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 | 201621 | 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 | 201621 | 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 | 209435 | 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 | 209435 | 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 | 209941 | 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 | 209941 | 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 | 210061 | 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 | 210061 | 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 | 18039 | 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 | 18039 | 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 | 18039 | 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 | 209998 | 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 | 209998 | 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 | 109588 | 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 | 109588 | 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 | 18802 | 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 | 18802 | 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 | 18802 | 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 | 107693 | 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 | 107693 | 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 | 210008 | 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 | 210008 | 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 | 175878 | 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 | 175878 | 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 | 209626 | 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 | 209626 | 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 | 209703 | 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 | 209703 | 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 | 215151 | 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 | 215151 | 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 | 107318 | 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 | 107318 | 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 | 209810 | 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 | 209810 | 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 | 210049 | 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 | 210049 | 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 | 107649 | 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 | 107649 | 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 | 109541 | 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 | 109541 | 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 | 215049 | 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 | 215049 | 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 | 114092 | 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 | 114092 | 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 | 215222 | 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 | 215222 | 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 | 18050 | 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 | 18050 | 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 | 18050 | 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 | 18798 | 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 | 18798 | 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 | 18798 | 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 | 215183 | 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 | 215183 | 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 | 210035 | 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 | 210035 | 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 | 114064 | 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 | 114064 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 210075 | 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 | 210075 | 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 | 107814 | 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 | 107814 | 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 | 20413 | 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 | 20413 | 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 | 20413 | 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 | 109391 | 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 | 109391 | 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 | 215188 | 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 | 215188 | 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 | 210079 | 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 | 210079 | 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 | 174609 | 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 | 174609 | 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 | 215214 | 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 | 215214 | 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 | 86484 | 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 | 86484 | 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 | 215046 | 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 | 215046 | 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 | 215132 | 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 | 215132 | 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 | 10960 | 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 | 10960 | 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 | 107517 | 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 | 107517 | 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 | 209524 | 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 | 209524 | 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 | 119146 | 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 | 119146 | 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 | 10964 | 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 | 10964 | 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 | 169793 | 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 | 169793 | 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 | 107627 | 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 | 107627 | 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 | 107596 | 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 | 107596 | 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 | 107539 | 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 | 107539 | 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 | 209429 | 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 | 209429 | 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 | 210007 | 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 | 210007 | 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 | 209930 | 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 | 209930 | 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 | 177399 | 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 | 177399 | 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 | 209584 | 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 | 209584 | 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 | 215048 | 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 | 215048 | 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 | 118267 | 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 | 118267 | 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 | 20552 | 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 | 20552 | 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 | 20552 | 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 | 209676 | 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 | 209676 | 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 | 170775 | 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 | 170775 | 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 | 209969 | 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 | 209969 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 20617 | 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 | 20617 | 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 | 20617 | 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 | 18062 | 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 | 18062 | 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 | 18062 | 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 | 207989 | 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 | 207989 | 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 | 18825 | 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 | 18825 | 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 | 18825 | 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 | 209699 | 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 | 209699 | 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 | 209895 | 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 | 209895 | 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 | 210042 | 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 | 210042 | 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 | 215037 | 3 | 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 | 215037 | 3 | 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 | 20369 | 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 | 20369 | 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 | 20369 | 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 | 209633 | 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 | 209633 | 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 | 209938 | 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 | 209938 | 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 | 210003 | 26 | 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 | 210003 | 26 | 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 | 19767 | 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 | 19767 | 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 | 19767 | 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 | 215071 | 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 | 215071 | 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 | 210055 | 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 | 210055 | 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 | 107489 | 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 | 107489 | 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 | 108988 | 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 | 108988 | 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 | 114691 | 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 | 114691 | 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 | 18060 | 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 | 18060 | 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 | 18060 | 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 | 209728 | 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 | 209728 | 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 | 210001 | 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 | 210001 | 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 | 209523 | 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 | 209523 | 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 | 109431 | 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 | 109431 | 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 | 210010 | 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 | 210010 | 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 | 215043 | 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 | 215043 | 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 | 109499 | 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 | 109499 | 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 | 107684 | 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 | 107684 | 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 | 169961 | 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 | 169961 | 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 | 209736 | 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 | 209736 | 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 | 209935 | 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 | 209935 | 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 | 114331 | 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 | 114331 | 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 | 10984 | 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 | 10984 | 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 | 108947 | 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 | 108947 | 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 | 209572 | 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 | 209572 | 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 | 209933 | 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 | 209933 | 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 | 215216 | 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 | 215216 | 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 | 215162 | 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 | 215162 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 109063 | 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 | 109063 | 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 | 209018 | 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 | 209018 | 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 | 86375 | 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 | 86375 | 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 | 215042 | 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 | 215042 | 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 | 18044 | 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 | 18044 | 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 | 18044 | 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 | 209675 | 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 | 209675 | 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 | 19202 | 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 | 19202 | 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 | 19202 | 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 | 208203 | 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 | 208203 | 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 | 209894 | 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 | 209894 | 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 | 107654 | 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 | 107654 | 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 | 107695 | 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 | 107695 | 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 | 10995 | 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 | 10995 | 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 | 107650 | 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 | 107650 | 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 | 18063 | 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 | 18063 | 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 | 18063 | 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 | 209914 | 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 | 209914 | 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 | 114191 | 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 | 114191 | 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 | 11238 | 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 | 11238 | 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 | 107508 | 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 | 107508 | 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 | 114065 | 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 | 114065 | 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 | 209613 | 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 | 209613 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 9788 | 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 | 9788 | 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 | 9788 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 9788 | 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 | 9788 | 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 | 9788 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 7387 | 22 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 8339 | 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 | 8339 | 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 | 8339 | 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 | 6860 | 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 | 6860 | 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 | 10324 | 38 | 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 | 10324 | 38 | 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 | 10324 | 38 | 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 | 10325 | 7 | 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 | 10325 | 7 | 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 | 10325 | 7 | 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 | 10342 | 19 | 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 | 10342 | 19 | 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 | 10342 | 19 | 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 | 6859 | 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 | 6859 | 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 | 8879 | 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 | 8879 | 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 | 8879 | 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 (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
460131 | 104081 | 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 | 104081 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 209668 | 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 | 209668 | 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 | 209668 | 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 | 209668 | 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 | 104003 | 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 | 104003 | 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 | 209567 | 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 | 209567 | 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 | 104003 | 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 | 104003 | 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 | 209540 | 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 | 209540 | 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 | 209540 | 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 | 209540 | 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 | 209540 | 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 | 209540 | 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 | 104080 | 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 | 104080 | 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 | 102441 | 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 | 102441 | 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 | 104111 | 3 | 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 | 104111 | 3 | 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 | 209668 | 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 | 209668 | 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 | 56969 | 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 | 56969 | 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 | 105489 | 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 | 105489 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 80686 | 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 | 80686 | 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 | 78449 | 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 | 78449 | 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 | 78785 | 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 | 78785 | 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 | 79611 | 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 | 79611 | 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 | 107671 | 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 | 107671 | 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 | 215112 | 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 | 215112 | 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 | 106027 | 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 | 106027 | 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 | 106204 | 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 | 106204 | 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 | 106253 | 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 | 106253 | 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 | 86276 | 11 | 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 | 86276 | 11 | 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 | 115492 | 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 | 115492 | 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 | 106701 | 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 | 106701 | 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 | 174628 | 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 | 174628 | 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 | 176177 | 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 | 176177 | 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 | 143224 | 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 | 143224 | 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 | 174745 | 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 | 174745 | 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 | 201347 | 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 | 201347 | 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 | 78961 | 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 | 78961 | 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 | 42329 | 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 | 42329 | 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 | 106957 | 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 | 106957 | 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 | 119877 | 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 | 119877 | 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 | 138320 | 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 | 138320 | 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 | 145574 | 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 | 145574 | 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 | 108622 | 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 | 108622 | 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 | 130648 | 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 | 130648 | 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 | 200923 | 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 | 200923 | 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 | 108131 | 19 | 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 | 108131 | 19 | 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 | 80148 | 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 | 80148 | 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 | 83121 | 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 | 83121 | 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 | 106251 | 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 | 106251 | 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 | 107609 | 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 | 107609 | 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 | 204946 | 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 | 204946 | 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 | 55677 | 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 | 55677 | 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 | 116528 | 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 | 116528 | 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 | 120304 | 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 | 120304 | 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 | 18770 | 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 | 18770 | 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 | 18770 | 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 | 144638 | 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 | 144638 | 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 | 213400 | 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 | 213400 | 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 | 46075 | 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 | 46075 | 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 | 16354 | 2 | 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 | 16354 | 2 | 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 | 81769 | 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 | 81769 | 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 | 82903 | 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 | 82903 | 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 | 84554 | 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 | 84554 | 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 | 105803 | 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 | 105803 | 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 | 106292 | 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 | 106292 | 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 | 170005 | 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 | 170005 | 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 | 111315 | 1 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 236 | 1 | 0 | 3 | 2.9 | C1=C(c2ccco2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | |||
CHEMBL310425 | 111315 | 1 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 236 | 1 | 0 | 3 | 2.9 | C1=C(c2ccco2)N2CCN=C2c2ccccc21 | 10.1021/jm00002a004 | |||
10444655 | 212254 | 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 | 212254 | 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 | 126744 | 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 | 126744 | 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 | 106782 | 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 | 106782 | 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 | 105925 | 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 | 105925 | 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 | 107336 | 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 | 107336 | 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 | 203948 | 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 | 203948 | 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 | 170281 | 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 | 170281 | 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 | 212199 | 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 | 212199 | 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 | 212190 | 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 | 212190 | 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 | 140391 | 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 | 140391 | 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 | 115520 | 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 | 115520 | 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 | 96304 | 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 | 96304 | 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 | 201333 | 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 | 201333 | 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 | 18491 | 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 | 18491 | 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 | 18491 | 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 | 18491 | 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 | 105830 | 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 | 105830 | 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 | 106321 | 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 | 106321 | 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 | 169611 | 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 | 169611 | 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 | 117099 | 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 | 117099 | 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 | 126607 | 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 | 126607 | 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 | 126347 | 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 | 126347 | 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 | 201742 | 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 | 201742 | 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 | 108131 | 19 | 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 | 108131 | 19 | 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 | 83664 | 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 | 83664 | 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 | 106243 | 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 | 106243 | 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 | 108725 | 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 | 108725 | 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 | 204932 | 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 | 204932 | 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 | 213489 | 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 | 213489 | 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 | 195223 | 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 | 195223 | 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 | 96305 | 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 | 96305 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 70093 | 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 | 70093 | 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 | 70093 | 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 | 70093 | 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 | 105481 | 19 | 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 | 105481 | 19 | 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 | 47569 | 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 | 47569 | 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 | 81804 | 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 | 81804 | 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 | 204402 | 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 | 204402 | 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 | 126311 | 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 | 126311 | 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 | 212288 | 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 | 212288 | 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 | 126397 | 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 | 126397 | 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 | 108089 | 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 | 108089 | 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 | 108641 | 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 | 108641 | 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 | 112280 | 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 | 112280 | 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 | 133551 | 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 | 133551 | 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 | 214841 | 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 | 214841 | 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 | 127995 | 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 | 127995 | 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 | 201518 | 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 | 201518 | 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 | 83446 | 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 | 83446 | 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 | 105485 | 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 | 105485 | 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 | 170037 | 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 | 170037 | 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 | 174538 | 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 | 174538 | 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 | 115685 | 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 | 115685 | 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 | 146297 | 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 | 146297 | 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 | 106695 | 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 | 106695 | 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 | 108131 | 19 | 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 | 108131 | 19 | 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 | 78696 | 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 | 78696 | 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 | 124126 | 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 | 124126 | 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 | 132966 | 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 | 132966 | 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 | 107312 | 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 | 107312 | 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 | 212196 | 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 | 212196 | 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 | 17960 | 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 | 17960 | 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 | 17960 | 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 | 113675 | 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 | 113675 | 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 | 60421 | 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 | 60421 | 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 | 86288 | 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 | 86288 | 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 | 60919 | 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 | 60919 | 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 | 126624 | 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 | 126624 | 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 | 201810 | 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 | 201810 | 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 | 113650 | 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 | 113650 | 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 | 213051 | 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 | 213051 | 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 | 50415 | 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 | 50415 | 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 | 111554 | 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 | 111554 | 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 | 201575 | 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 | 201575 | 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 | 107312 | 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 | 107312 | 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 | 106752 | 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 | 106752 | 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 | 116566 | 26 | 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 | 116566 | 26 | 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 | 50536 | 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 | 50536 | 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 | 50753 | 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 | 50753 | 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 | 201533 | 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 | 201533 | 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 | 208469 | 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 | 208469 | 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 | 140352 | 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 | 140352 | 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 | 130085 | 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 | 130085 | 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 | 211782 | 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 | 211782 | 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 | 174700 | 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 | 174700 | 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 | 86281 | 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 | 86281 | 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 | 108023 | 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 | 108023 | 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 | 205167 | 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 | 205167 | 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 | 105728 | 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 | 105728 | 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 | 56205 | 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 | 56205 | 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 | 86283 | 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 | 86283 | 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 | 106878 | 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 | 106878 | 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 | 107111 | 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 | 107111 | 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 | 117251 | 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 | 117251 | 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 | 108226 | 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 | 108226 | 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 | 125528 | 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 | 125528 | 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 | 168888 | 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 | 168888 | 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 | 200212 | 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 | 200212 | 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 | 200984 | 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 | 200984 | 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 | 196098 | 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 | 196098 | 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 | 79652 | 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 | 79652 | 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 | 105727 | 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 | 105727 | 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 | 40026 | 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 | 40026 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 107042 | 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 | 107042 | 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 | 108131 | 19 | 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 | 108131 | 19 | 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 | 204054 | 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 | 204054 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 195221 | 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 | 195221 | 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 | 197787 | 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 | 197787 | 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 | 201499 | 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 | 201499 | 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 | 201512 | 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 | 201512 | 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 | 201545 | 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 | 201545 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 105655 | 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 | 105655 | 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 | 145186 | 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 | 145186 | 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 | 113693 | 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 | 113693 | 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 | 213386 | 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 | 213386 | 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 | 145480 | 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 | 145480 | 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 | 86279 | 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 | 86279 | 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 | 108743 | 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 | 108743 | 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 | 113861 | 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 | 113861 | 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 | 86278 | 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 | 86278 | 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 | 115399 | 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 | 115399 | 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 | 200220 | 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 | 200220 | 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 | 212241 | 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 | 212241 | 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 | 112459 | 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 | 112459 | 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 | 86277 | 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 | 86277 | 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 | 106391 | 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 | 106391 | 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 | 213617 | 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 | 213617 | 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 | 130841 | 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 | 130841 | 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 | 108226 | 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 | 108226 | 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 | 214754 | 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 | 214754 | 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 | 108131 | 19 | 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 | 108131 | 19 | 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 | 86290 | 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 | 86290 | 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 | 60421 | 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 | 60421 | 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 | 201330 | 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 | 201330 | 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 | 126030 | 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 | 126030 | 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 | 107780 | 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 | 107780 | 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 | 201377 | 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 | 201377 | 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 | 201654 | 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 | 201654 | 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 | 83572 | 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 | 83572 | 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 | 105595 | 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 | 105595 | 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 | 106142 | 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 | 106142 | 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 | 203628 | 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 | 203628 | 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 | 205346 | 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 | 205346 | 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 | 106531 | 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 | 106531 | 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 | 213571 | 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 | 213571 | 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 | 201668 | 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 | 201668 | 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 | 106771 | 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 | 106771 | 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 | 108660 | 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 | 108660 | 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 | 178118 | 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 | 178118 | 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 | 201321 | 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 | 201321 | 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 | 201684 | 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 | 201684 | 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 | 80401 | 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 | 80401 | 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 | 169965 | 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 | 169965 | 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 | 146125 | 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 | 146125 | 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 | 107305 | 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 | 107305 | 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 | 55531 | 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 | 55531 | 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 | 47518 | 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 | 47518 | 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 | 114748 | 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 | 114748 | 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 | 106868 | 1 | 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 | 106868 | 1 | 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 | 213090 | 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 | 213090 | 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 | 174589 | 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 | 174589 | 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 | 108529 | 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 | 108529 | 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 | 55677 | 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 | 55677 | 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 | 92776 | 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 | 92776 | 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 | 168100 | 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 | 168100 | 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 | 111671 | 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 | 111671 | 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 | 86289 | 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 | 86289 | 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 | 215215 | 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 | 215215 | 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 | 126280 | 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 | 126280 | 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 | 80189 | 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 | 80189 | 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 | 173921 | 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 | 173921 | 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 | 60341 | 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 | 60341 | 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 | 119128 | 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 | 119128 | 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 | 108539 | 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 | 108539 | 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 | 201660 | 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 | 201660 | 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 | 214967 | 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 | 214967 | 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 | 197081 | 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 | 197081 | 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 | 81299 | 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 | 81299 | 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 | 105759 | 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 | 105759 | 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 | 170045 | 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 | 170045 | 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 | 60341 | 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 | 60341 | 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 | 117261 | 30 | 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 | 117261 | 30 | 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 | 123721 | 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 | 123721 | 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 | 106492 | 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 | 106492 | 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 | 146301 | 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 | 146301 | 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 | 174766 | 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 | 174766 | 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 | 201704 | 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 | 201704 | 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 | 170045 | 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 | 170045 | 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 | 169114 | 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 | 169114 | 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 | 198880 | 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 | 198880 | 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 | 80687 | 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 | 80687 | 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 | 17950 | 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 | 17950 | 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 | 17950 | 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 | 168949 | 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 | 168949 | 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 | 118271 | 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 | 118271 | 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 | 128414 | 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 | 128414 | 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 | 50331 | 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 | 50331 | 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 | 211995 | 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 | 211995 | 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 | 206095 | 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 | 206095 | 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 | 126397 | 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 | 126397 | 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 | 214742 | 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 | 214742 | 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 | 46333 | 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 | 46333 | 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 | 170859 | 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 | 170859 | 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 | 174890 | 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 | 174890 | 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 | 108808 | 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 | 108808 | 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 | 205233 | 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 | 205233 | 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 | 203420 | 5 | 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 | 203420 | 5 | 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 | 11982 | 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 | 11982 | 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 | 11551 | 101 | None | -69 | 34 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
CHEMBL104 | 11551 | 101 | None | -69 | 34 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
44273372 | 84048 | 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 | 84048 | 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 | 126128 | 67 | 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 | 126128 | 67 | 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 | 203397 | 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 | 203397 | 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 | 81843 | 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 | 81843 | 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 | 81843 | 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 | 81843 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 212002 | 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 | 212002 | 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 | 86282 | 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 | 86282 | 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 | 106418 | 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 | 106418 | 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 | 126482 | 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 | 126482 | 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 | 86287 | 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 | 86287 | 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 | 201320 | 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 | 201320 | 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 | 196653 | 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 | 196653 | 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 | 201342 | 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 | 201342 | 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 | 81202 | 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 | 81202 | 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 | 82210 | 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 | 82210 | 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 | 105804 | 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 | 105804 | 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 | 106289 | 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 | 106289 | 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 | 105421 | 18 | 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 | 105421 | 18 | 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 | 12052 | 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 | 12052 | 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 | 10342 | 19 | 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 | 10342 | 19 | 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 | 10342 | 19 | 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 | 105421 | 18 | 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 | 105421 | 18 | 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 | 108603 | 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 | 108603 | 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 | 201334 | 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 | 201334 | 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 | 214507 | 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 | 214507 | 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 | 214517 | 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 | 214517 | 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 | 168776 | 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 | 168776 | 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 | 201543 | 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 | 201543 | 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 | 105421 | 18 | 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 | 105421 | 18 | 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 | 92775 | 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 | 92775 | 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 | 41300 | 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 | 41300 | 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 | 169911 | 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 | 169911 | 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 | 106657 | 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 | 106657 | 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 | 106721 | 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 | 106721 | 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 | 119112 | 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 | 119112 | 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 | 201319 | 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 | 201319 | 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 | 196674 | 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 | 196674 | 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 | 196027 | 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 | 196027 | 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 | 106766 | 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 | 106766 | 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 | 106820 | 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 | 106820 | 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 | 107280 | 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 | 107280 | 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 | 143302 | 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 | 143302 | 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 | 113460 | 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 | 113460 | 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 | 170174 | 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 | 170174 | 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 | 211933 | 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 | 211933 | 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 | 48295 | 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 | 48295 | 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 | 106554 | 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 | 106554 | 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 | 126545 | 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 | 126545 | 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 | 60283 | 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 | 60283 | 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 | 86280 | 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 | 86280 | 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 | 79536 | 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 | 79536 | 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 | 107830 | 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 | 107830 | 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 | 106536 | 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 | 106536 | 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 | 201766 | 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 | 201766 | 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 | 169991 | 37 | 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 | 169991 | 37 | 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 | 204144 | 13 | 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 | 204144 | 13 | 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 | 205010 | 15 | 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 | 205010 | 15 | 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 | 55531 | 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 | 55531 | 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 | 110762 | 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 | 110762 | 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 | 213365 | 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 | 213365 | 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 | 168784 | 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 | 168784 | 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 | 106417 | 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 | 106417 | 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 | 174633 | 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 | 174633 | 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 | 201517 | 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 | 201517 | 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 | 79410 | 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 | 79410 | 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 | 80684 | 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 | 80684 | 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 | 80708 | 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 | 80708 | 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 | 84344 | 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 | 84344 | 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 | 105396 | 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 | 105396 | 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 | 105868 | 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 | 105868 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 115239 | 1 | 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 | 115239 | 1 | 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 | 126383 | 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 | 126383 | 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 | 197708 | 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 | 197708 | 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 | 201481 | 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 | 201481 | 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 | 108526 | 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 | 108526 | 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 | 174826 | 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 | 174826 | 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 | 105646 | 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 | 105646 | 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 | 108609 | 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 | 108609 | 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 | 126329 | 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 | 126329 | 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 | 11691 | 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 | 11691 | 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 | 107363 | 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 | 107363 | 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 | 126410 | 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 | 126410 | 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 | 145436 | 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 | 145436 | 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 | 201677 | 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 | 201677 | 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 | 106276 | 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 | 106276 | 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 | 106167 | 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 | 106167 | 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 | 203850 | 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 | 203850 | 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 | 107101 | 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 | 107101 | 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 | 106352 | 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 | 106352 | 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 | 60919 | 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 | 60919 | 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 | 112515 | 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 | 112515 | 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 | 211957 | 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 | 211957 | 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 | 114894 | 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 | 114894 | 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 | 108596 | 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 | 108596 | 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 | 199925 | 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 | 199925 | 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 | 171640 | 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 | 171640 | 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 | 200376 | 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 | 200376 | 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 | 110636 | 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 | 110636 | 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 | 55430 | 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 | 55430 | 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 | 105708 | 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 | 105708 | 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 | 111154 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 264 | 1 | 0 | 2 | 3.4 | Fc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | |||
CHEMBL310238 | 111154 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 264 | 1 | 0 | 2 | 3.4 | Fc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | |||
21577212 | 75028 | 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 | 75028 | 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 | 140665 | 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 | 140665 | 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 | 55560 | 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 | 55560 | 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 | 92774 | 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 | 92774 | 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 | 60283 | 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 | 60283 | 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 | 61099 | 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 | 61099 | 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 | 211998 | 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 | 211998 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 114116 | 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 | 114116 | 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 | 86636 | 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 | 86636 | 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 | 105422 | 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 | 105422 | 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 | 106210 | 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 | 106210 | 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 | 175348 | 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 | 175348 | 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 | 10342 | 19 | 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 | 10342 | 19 | 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 | 10342 | 19 | 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 | 11722 | 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 | 11722 | 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 | 106392 | 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 | 106392 | 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 | 200210 | 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 | 200210 | 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 | 201351 | 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 | 201351 | 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 | 202099 | 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 | 202099 | 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 | 201655 | 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 | 201655 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 40756 | 1 | 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 | 40756 | 1 | 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 | 205205 | 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 | 205205 | 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 | 126967 | 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 | 126967 | 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 | 144931 | 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 | 144931 | 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 | 119591 | 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 | 119591 | 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 | 168882 | 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 | 168882 | 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 | 170173 | 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 | 170173 | 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 | 200183 | 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 | 200183 | 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 | 118254 | 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 | 118254 | 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 | 211984 | 1 | 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 | 211984 | 1 | 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 | 175083 | 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 | 175083 | 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 | 214825 | 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 | 214825 | 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 | 106980 | 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 | 106980 | 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 | 143237 | 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 | 143237 | 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 | 79563 | 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 | 79563 | 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 | 81730 | 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 | 81730 | 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 | 105472 | 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 | 105472 | 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 | 105529 | 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 | 105529 | 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 | 86455 | 4 | 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 | 86455 | 4 | 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 | 84577 | 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 | 84577 | 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 | 205755 | 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 | 205755 | 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 | 200158 | 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 | 200158 | 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 | 195087 | 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 | 195087 | 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 | 212404 | 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 | 212404 | 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 | 79325 | 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 | 79325 | 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 | 84879 | 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 | 84879 | 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 | 112384 | 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 | 112384 | 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 | 126482 | 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 | 126482 | 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 | 126175 | 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 | 126175 | 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 | 106705 | 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 | 106705 | 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 | 51012 | 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 | 51012 | 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 | 108027 | 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 | 108027 | 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 | 106029 | 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 | 106029 | 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 | 144352 | 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 | 144352 | 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 | 108242 | 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 | 108242 | 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 | 213393 | 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 | 213393 | 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 | 212313 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | |||
CHEMBL80963 | 212313 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 280 | 1 | 0 | 2 | 3.9 | Clc1ccccc1C1=Cc2ccccc2C2=NCCN12 | 10.1021/jm00002a004 | |||
9995815 | 112391 | 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 | 112391 | 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 | 10324 | 38 | 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 | 10324 | 38 | 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 | 10324 | 38 | 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 | 204975 | 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 | 204975 | 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 | 55560 | 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 | 55560 | 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 | 115393 | 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 | 115393 | 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 | 201510 | 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 | 201510 | 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 | 81801 | 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 | 81801 | 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 | 105673 | 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 | 105673 | 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 | 118728 | 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 | 118728 | 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 | 83570 | 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 | 83570 | 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 | 212059 | 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 | 212059 | 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 | 144634 | 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 | 144634 | 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 | 60760 | 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 | 60760 | 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 | 212274 | 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 | 212274 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 12024 | 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 | 12024 | 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 | 67132 | 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 | 67132 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 137342 | 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 | 137342 | 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 | 214463 | 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 | 214463 | 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 | 116481 | 27 | 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 | 116481 | 27 | 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 | 116481 | 27 | 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 | 116481 | 27 | 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 | 172660 | 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 | 172660 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 66617 | 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 | 66617 | 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 | 175037 | 2 | 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 | 175037 | 2 | 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 | 138323 | 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 | 138323 | 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 | 139359 | 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 | 139359 | 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 | 136455 | 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 | 136455 | 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 | 136081 | 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 | 136081 | 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 | 173121 | 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 | 173121 | 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 | 68133 | 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 | 68133 | 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 | 66805 | 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 | 66805 | 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 | 134980 | 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 | 134980 | 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 | 67048 | 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 | 67048 | 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 | 136986 | 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 | 136986 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 107671 | 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 | 107671 | 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 | 66808 | 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 | 66808 | 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 | 18733 | 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 | 18733 | 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 | 18733 | 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 | 67146 | 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 | 67146 | 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 | 66606 | 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 | 66606 | 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 | 66694 | 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 | 66694 | 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 | 137038 | 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 | 137038 | 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 | 134836 | 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 | 134836 | 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 | 66784 | 2 | 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 | 66784 | 2 | 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 | 135798 | 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 | 135798 | 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 | 138601 | 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 | 138601 | 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 | 172835 | 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 | 172835 | 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 | 127504 | 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 | 127504 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 18419 | 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 | 18419 | 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 | 10985 | 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 | 10985 | 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 | 174920 | 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 | 174920 | 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 | 67046 | 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 | 67046 | 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 | 137002 | 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 | 137002 | 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 | 214909 | 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 | 21428 | 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 | 21428 | 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 | 21428 | 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 | 175236 | 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 | 175236 | 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 | 214137 | 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 | 214137 | 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 | 16354 | 2 | 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 | 16354 | 2 | 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 | 14266 | 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 | 13319 | 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 | 18077 | 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 | 18077 | 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 | 18077 | 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 | 108226 | 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 | 108226 | 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 | 108226 | 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 | 108226 | 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 | 18732 | 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 | 18732 | 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 | 18732 | 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 | 12892 | 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 | 84970 | 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 | 84970 | 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 | 114090 | 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 | 114090 | 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 | 66032 | 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 | 66032 | 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 | 66644 | 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 | 66644 | 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 | 66800 | 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 | 66800 | 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 | 136574 | 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 | 136574 | 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 | 136771 | 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 | 136771 | 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 | 17882 | 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 | 17882 | 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 | 17882 | 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 | 17891 | 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 | 17891 | 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 | 17891 | 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 | 215070 | 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 | 215070 | 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 | 137700 | 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 | 137700 | 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 | 171645 | 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 | 171645 | 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 | 21572 | 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 | 21572 | 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 | 21572 | 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 | 17895 | 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 | 17895 | 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 | 17895 | 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 | 15646 | 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 | 15646 | 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 | 209700 | 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 | 209700 | 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 | 127186 | 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 | 127186 | 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 | 137455 | 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 | 137455 | 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 | 214921 | 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 | 67178 | 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 | 67178 | 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 | 137997 | 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 | 137997 | 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 | 126272 | 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 | 126272 | 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 | 214090 | 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 | 214090 | 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 | 19154 | 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 | 19154 | 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 | 19154 | 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 | 176051 | 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 | 176051 | 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 | 73761 | 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 | 73761 | 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 | 17890 | 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 | 17890 | 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 | 17890 | 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 | 67047 | 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 | 67047 | 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 | 114926 | 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 | 114926 | 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 | 123136 | 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 | 123136 | 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 | 18080 | 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 | 18080 | 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 | 18080 | 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 | 18745 | 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 | 18745 | 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 | 18745 | 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 | 66837 | 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 | 66837 | 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 | 70093 | 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 | 70093 | 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 | 17907 | 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 | 17907 | 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 | 17907 | 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 | 68060 | 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 | 68060 | 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 | 214071 | 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 | 214071 | 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 | 18082 | 1 | 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 | 18082 | 1 | 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 | 18082 | 1 | 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 | 210136 | 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 | 210136 | 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 | 213565 | 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 | 213565 | 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 | 172054 | 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 | 172054 | 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 | 66791 | 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 | 66791 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 12574 | 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 | 27113 | 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 | 27113 | 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 | 123834 | 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 | 123834 | 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 | 214188 | 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 | 214188 | 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 | 103529 | 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 | 103529 | 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 | 210151 | 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 | 210151 | 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 | 108979 | 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 | 108979 | 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 | 18073 | 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 | 18073 | 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 | 18073 | 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 | 215083 | 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 | 215083 | 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 | 66773 | 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 | 66773 | 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 | 114030 | 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 | 114030 | 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 | 114704 | 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 | 114704 | 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 | 174991 | 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 | 174991 | 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 | 209711 | 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 | 209711 | 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 | 57963 | 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 | 57963 | 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 | 209591 | 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 | 209591 | 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 | 21572 | 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 | 21572 | 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 | 21572 | 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 | 214961 | 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 | 214961 | 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 | 172986 | 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 | 172986 | 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 | 119406 | 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 | 119406 | 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 | 18070 | 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 | 18070 | 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 | 18070 | 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 | 17888 | 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 | 17888 | 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 | 17888 | 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 | 114933 | 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 | 114933 | 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 | 66236 | 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 | 66236 | 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 | 137480 | 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 | 137480 | 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 | 135799 | 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 | 135799 | 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 | 18078 | 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 | 18078 | 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 | 18078 | 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 | 126128 | 67 | 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 | 126128 | 67 | 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 | 66521 | 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 | 66521 | 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 | 67082 | 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 | 67082 | 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 | 138901 | 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 | 138901 | 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 | 67163 | 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 | 67163 | 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 | 114145 | 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 | 114145 | 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 | 68109 | 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 | 68109 | 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 | 114145 | 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 | 114145 | 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 | 137400 | 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 | 137400 | 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 | 66819 | 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 | 66819 | 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 | 17787 | 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 | 17787 | 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 | 170115 | 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 | 170115 | 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 | 121594 | 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 | 121594 | 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 | 66707 | 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 | 66707 | 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 | 138154 | 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 | 138154 | 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 | 138905 | 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 | 138905 | 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 | 18419 | 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 | 18419 | 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 | 17881 | 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 | 17881 | 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 | 17881 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 17901 | 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 | 17901 | 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 | 17901 | 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 | 119143 | 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 | 119143 | 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 | 118315 | 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 | 118315 | 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 | 144859 | 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 | 144859 | 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 | 209630 | 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 | 209630 | 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 | 210164 | 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 | 210164 | 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 | 117734 | 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 | 17905 | 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 | 17905 | 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 | 17905 | 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 | 18083 | 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 | 18083 | 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 | 18083 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 17886 | 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 | 113697 | 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 | 113697 | 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 | 11551 | 101 | None | -69 | 34 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
CHEMBL104 | 11551 | 101 | None | -69 | 34 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
9852175 | 84991 | 15 | 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 | 84991 | 15 | 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 | 170197 | 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 | 170197 | 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 | 136222 | 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 | 136222 | 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 | 210207 | 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 | 210207 | 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 | 107057 | 13 | 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 | 107057 | 13 | 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 | 112896 | 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 | 112896 | 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 | 10965 | 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 | 10965 | 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 | 126627 | 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 | 126627 | 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 | 18074 | 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 | 18074 | 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 | 18074 | 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 | 174640 | 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 | 174640 | 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 | 103259 | 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 | 103259 | 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 | 107326 | 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 | 107326 | 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 | 17906 | 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 | 17906 | 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 | 17906 | 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 | 66717 | 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 | 66717 | 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 | 18081 | 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 | 18081 | 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 | 18081 | 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 | 18075 | 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 | 18075 | 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 | 18075 | 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 | 17889 | 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 | 17889 | 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 | 17889 | 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 | 18743 | 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 | 18743 | 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 | 18743 | 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 | 115362 | 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 | 115362 | 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 | 106660 | 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 | 106660 | 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 | 163857 | 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 | 163857 | 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 | 136509 | 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 | 136509 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 114142 | 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 | 114142 | 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 | 67126 | 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 | 67126 | 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 | 67019 | 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 | 67019 | 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 | 121594 | 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 | 121594 | 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 | 17004 | 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 | 17004 | 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 | 214950 | 25 | 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 | 214950 | 25 | 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 | 214950 | 25 | 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 | 214950 | 25 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 17893 | 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 | 17893 | 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 | 17893 | 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 | 17887 | 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 | 17887 | 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 | 17887 | 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 | 21429 | 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 | 21429 | 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 | 21429 | 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 | 67137 | 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 | 67137 | 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 | 109056 | 15 | 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 | 109056 | 15 | 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 | 18086 | 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 | 18086 | 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 | 18086 | 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 | 209063 | 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 | 209063 | 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 | 209766 | 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 | 209766 | 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 | 17903 | 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 | 17903 | 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 | 17903 | 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 | 210309 | 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 | 210309 | 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 | 17904 | 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 | 17904 | 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 | 17904 | 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 | 109427 | 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 | 109427 | 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 | 114067 | 5 | 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 | 114067 | 5 | 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 | 118433 | 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 | 118433 | 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 | 115132 | 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 | 115132 | 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 | 66742 | 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 | 66742 | 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 | 105251 | 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 | 105251 | 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 | 209697 | 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 | 209697 | 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 | 66040 | 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 | 66040 | 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 | 19197 | 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 | 19197 | 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 | 19197 | 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 | 137395 | 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 | 137395 | 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 | 17898 | 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 | 17898 | 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 | 17898 | 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 | 17899 | 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 | 17899 | 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 | 17899 | 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 | 138884 | 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 | 138884 | 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 | 66700 | 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 | 66700 | 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 | 18147 | 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 | 18147 | 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 | 18147 | 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 | 210490 | 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 | 210490 | 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 | 210186 | 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 | 210186 | 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 | 122148 | 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 | 122148 | 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 | 209471 | 2 | 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 | 209471 | 2 | 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 | 209659 | 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 | 209659 | 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 | 14804 | 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 | 114057 | 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 | 114057 | 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 | 113956 | 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 | 113956 | 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 | 18079 | 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 | 18079 | 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 | 18079 | 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 | 122310 | 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 | 122310 | 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 | 127102 | 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 | 127102 | 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 | 18826 | 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 | 18826 | 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 | 18826 | 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 | 136453 | 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 | 136453 | 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 | 107232 | 39 | 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 | 107232 | 39 | 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 | 109063 | 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 | 109063 | 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 | 136304 | 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 | 136304 | 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 | 67116 | 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 | 67116 | 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 | 17004 | 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 | 17004 | 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 | 66576 | 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 | 66576 | 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 | 17902 | 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 | 17902 | 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 | 17902 | 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 | 115960 | 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 | 138618 | 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 | 138618 | 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 | 19139 | 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 | 19139 | 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 | 19139 | 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 | 21570 | 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 | 21570 | 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 | 21570 | 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 | 30049 | 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 | 30049 | 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 | 119382 | 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 | 119382 | 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 | 214163 | 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 | 214163 | 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 | 54162 | 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 | 54162 | 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 | 209482 | 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 | 209482 | 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 | 210146 | 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 | 210146 | 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 | 17897 | 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 | 17897 | 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 | 17897 | 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 | 123777 | 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 | 123777 | 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 | 123579 | 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 | 123579 | 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 | 15646 | 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 | 15646 | 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 | 17855 | 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 | 17855 | 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 | 17855 | 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 | 215139 | 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 | 215139 | 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 | 67062 | 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 | 67062 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 66736 | 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 | 66736 | 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 | 175246 | 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 | 175246 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 108549 | 17 | 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 | 17892 | 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 | 17892 | 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 | 17892 | 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 | 173076 | 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 | 173076 | 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 | 126506 | 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 | 126506 | 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 | 213977 | 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 | 213977 | 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 | 13192 | 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 | 18084 | 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 | 18084 | 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 | 18084 | 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 | 136239 | 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 | 136239 | 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 | 126331 | 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 | 126331 | 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 | 209905 | 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 | 209905 | 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 | 201557 | 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 | 201557 | 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 | 10939 | 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 | 215127 | 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 | 215127 | 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 | 210324 | 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 | 210324 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 8005 | 3 | 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 | 113994 | 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 | 113994 | 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 | 187457 | 101 | 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 | 187457 | 101 | 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 | 215191 | 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 | 215191 | 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 | 67110 | 1 | 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 | 67110 | 1 | 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 | 126490 | 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 | 126490 | 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 | 28107 | 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 | 28107 | 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 | 136879 | 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 | 136879 | 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 | 201557 | 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 | 201557 | 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 | 18076 | 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 | 18076 | 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 | 18076 | 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 | 126423 | 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 | 126423 | 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 | 196342 | 27 | 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 | 196342 | 27 | 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 | 70093 | 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 | 70093 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 17900 | 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 | 17896 | 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 | 17896 | 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 | 17896 | 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 | 136513 | 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 | 136513 | 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 | 17894 | 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 | 17894 | 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 | 17894 | 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 | 18731 | 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 | 18731 | 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 | 18731 | 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 | 124266 | 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 | 124266 | 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 | 210132 | 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 | 210132 | 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 | 13317 | 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 | 209483 | 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 | 209483 | 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 | 210137 | 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 | 210137 | 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 | 18737 | 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 | 18737 | 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 | 18737 | 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 | 214223 | 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 | 214223 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 18721 | 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 | 18721 | 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 | 18721 | 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 | 56148 | 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 | 56148 | 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 | 25708 | 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 | 25708 | 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 | 117261 | 30 | 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 | 117261 | 30 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 222968 | 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 | 6790 | 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 | 6790 | 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 | 6790 | 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 | 6790 | 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 | 7745 | 93 | 3H-PAF | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 7745 | 93 | 3H-PAF | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 7745 | 93 | 3H-PAF | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 7745 | 93 | 3H-PAF | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 7745 | 93 | 3H-PAF | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
1222 | 8445 | 49 | 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 | 8445 | 49 | 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 | 8445 | 49 | 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 | 8445 | 49 | 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 | 8445 | 49 | 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 | 8692 | 93 | 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 | 8692 | 93 | 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 | 8692 | 93 | 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 | 8692 | 93 | 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 | 8692 | 93 | 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 | 9688 | 112 | 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 | 9688 | 112 | 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 | 9688 | 112 | 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 | 9688 | 112 | 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 | 9902 | 46 | 3H-PAF | -831 | 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 | 9902 | 46 | 3H-PAF | -831 | 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 | 9902 | 46 | 3H-PAF | -831 | 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 | 9902 | 46 | 3H-PAF | -831 | 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 | 9902 | 46 | 3H-PAF | -831 | 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 | 10030 | 77 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
50 | 10030 | 77 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
5002 | 10030 | 77 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
CHEMBL716 | 10030 | 77 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
DB01224 | 10030 | 77 | 3H-PAF | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
2389 | 10104 | 118 | 3H-PAF | -2691 | 66 | 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 | 10104 | 118 | 3H-PAF | -2691 | 66 | 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 | 10104 | 118 | 3H-PAF | -2691 | 66 | 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 | 10104 | 118 | 3H-PAF | -2691 | 66 | 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 | 10104 | 118 | 3H-PAF | -2691 | 66 | 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 | 10362 | 83 | 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 | 10362 | 83 | 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 | 10362 | 83 | 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 | 10362 | 83 | 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 | 10362 | 83 | 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 | 10915 | 73 | 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 | 10915 | 73 | 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 | 10915 | 73 | 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 | 10915 | 73 | 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 | 10915 | 73 | 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 | 10925 | 61 | 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 | 10925 | 61 | 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 | 10925 | 61 | 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 | 10925 | 61 | 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 | 10925 | 61 | 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 | 62359 | 119 | 3H-PAF | -4265 | 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 | 62359 | 119 | 3H-PAF | -4265 | 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 | 114308 | 20 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
9903970 | 114308 | 20 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3187365 | 114308 | 20 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3544974 | 114308 | 20 | 3H-PAF | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
243 | 9976 | 91 | 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 | 9976 | 91 | 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 | 9976 | 91 | 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 | 9976 | 91 | 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 | 9976 | 91 | 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 | 147485 | 7 | UNDEFINED | -89125 | 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 | 147485 | 7 | UNDEFINED | -89125 | 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 | 223272 | 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 | 6790 | 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 | 6790 | 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 | 6790 | 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 | 6790 | 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 | 222968 | 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 | 6790 | 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 | 6790 | 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 | 117261 | 30 | 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 | 117261 | 30 | 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 | 223002 | 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 | 223001 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 223001 | 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 | 210039 | 27 | 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 | 210039 | 27 | 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 | 210264 | 36 | 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 | 210264 | 36 | 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 | 223002 | 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 | 6790 | 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 | 6790 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 114852 | 101 | None | 1 | 5 | 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 | 114852 | 101 | None | 1 | 5 | 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 | 11551 | 101 | None | -69 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
CHEMBL104 | 11551 | 101 | None | -69 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
65927 | 210003 | 26 | 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 | 210003 | 26 | 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 | 210264 | 36 | 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 | 210264 | 36 | 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 | 210264 | 36 | 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 | 210264 | 36 | 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 | 210039 | 27 | 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 | 210039 | 27 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 210003 | 26 | 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 | 210003 | 26 | 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 | 223003 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 8004 | 29 | 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 | 210039 | 27 | 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 | 210039 | 27 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 117261 | 30 | 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 | 117261 | 30 | 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 | 223003 | 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 | 8459 | 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 | 8459 | 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 | 8459 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 10189 | 72 | 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 | 8577 | 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 | 8577 | 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 | 8577 | 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 | 8577 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 7223 | 62 | 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 | 9014 | 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 | 9014 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 7019 | 18 | 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 | 8578 | 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 | 8578 | 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 | 8579 | 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 | 8579 | 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 | 6961 | 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 | 6961 | 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 | 6963 | 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 | 6963 | 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 | 6968 | 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 | 6968 | 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 | 6964 | 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 | 6964 | 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 | 6794 | 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 | 6794 | 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 | 6959 | 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 | 6959 | 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 | 8576 | 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 | 8576 | 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 | 6957 | 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 | 6957 | 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 | 6792 | 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 | 6792 | 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 | 6960 | 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 | 6960 | 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 | 6962 | 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 | 6962 | 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 | 6793 | 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 | 6793 | 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 | 7483 | 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 | 7483 | 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 | 6791 | 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 | 6791 | 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 | 6956 | 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 | 6956 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 9767 | 52 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 10150 | 12 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 | 7018 | 3 | 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 |