Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.2c00052 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.2c00052 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 9.9 | 9.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.2c00052 | |||
| 3035850 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.8 | 9.8 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm4007966 | |||
| 3035850.0 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.8 | 9.8 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm4007966 | |||
| 457 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.8 | 9.8 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm4007966 | |||
| CHEMBL431733 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.8 | 9.8 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm4007966 | |||
| DB12885 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.8 | 9.8 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm4007966 | |||
| 118730350 | 118202 | None | 0 | Mouse | Functional | pEC50 | = | 9.6 | 9.6 | 1 | 2 | ChEMBL | 424 | 3 | 4 | 9 | 0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccs4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| CHEMBL3407783 | 118202 | None | 0 | Mouse | Functional | pEC50 | = | 9.6 | 9.6 | 1 | 2 | ChEMBL | 424 | 3 | 4 | 9 | 0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccs4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| 154730931 | 171626 | None | 1 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 462 | 4 | 3 | 8 | 1.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)c4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL4464176 | 171626 | None | 1 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 462 | 4 | 3 | 8 | 1.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)c4cccc(Cl)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| 168278076 | 190361 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 3 | 2 | ChEMBL | 295 | 2 | 0 | 6 | 1.9 | Cn1nc(-c2ccccc2)c2cnnc(N3CCOCC3)c21 | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL5175347 | 190361 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 3 | 2 | ChEMBL | 295 | 2 | 0 | 6 | 1.9 | Cn1nc(-c2ccccc2)c2cnnc(N3CCOCC3)c21 | 10.1021/acsmedchemlett.2c00052 | |||
| 91799687 | 118192 | None | 0 | Mouse | Functional | pEC50 | = | 9.5 | 9.5 | 4 | 2 | ChEMBL | 420 | 3 | 4 | 10 | -0.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| CHEMBL3407774 | 118192 | None | 0 | Mouse | Functional | pEC50 | = | 9.5 | 9.5 | 4 | 2 | ChEMBL | 420 | 3 | 4 | 10 | -0.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| 123683 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.4 | 9.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.8b00435 | |||
| 422 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.4 | 9.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.4 | 9.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.8b00435 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.4 | 9.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.8b00435 | |||
| 118730350 | 118202 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -1 | 2 | ChEMBL | 424 | 3 | 4 | 9 | 0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccs4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| CHEMBL3407783 | 118202 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | -1 | 2 | ChEMBL | 424 | 3 | 4 | 9 | 0.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cccs4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| 3035850 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.3 | 9.3 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.5b01998 | |||
| 3035850.0 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.3 | 9.3 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.5b01998 | |||
| 457 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.3 | 9.3 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.5b01998 | |||
| CHEMBL431733 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.3 | 9.3 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.5b01998 | |||
| DB12885 | 951 | None | 50 | Mouse | Functional | pEC50 | = | 9.3 | 9.3 | 14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.5b01998 | |||
| 168285237 | 191861 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 3 | 2 | ChEMBL | 315 | 4 | 1 | 5 | 3.6 | Cn1nc2c(NCc3ccccc3)nncc2c1-c1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL5197567 | 191861 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 3 | 2 | ChEMBL | 315 | 4 | 1 | 5 | 3.6 | Cn1nc2c(NCc3ccccc3)nncc2c1-c1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | |||
| 422 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | |||
| 168281259 | 190873 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 2 | 2 | ChEMBL | 295 | 2 | 0 | 6 | 1.9 | Cn1nc2c(N3CCOCC3)nncc2c1-c1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL5183118 | 190873 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | 2 | 2 | ChEMBL | 295 | 2 | 0 | 6 | 1.9 | Cn1nc2c(N3CCOCC3)nncc2c1-c1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| 118730351 | 118203 | None | 3 | Mouse | Functional | pEC50 | = | 9.2 | 9.2 | 57 | 2 | ChEMBL | 458 | 3 | 4 | 9 | 1.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| CHEMBL3407784 | 118203 | None | 3 | Mouse | Functional | pEC50 | = | 9.2 | 9.2 | 57 | 2 | ChEMBL | 458 | 3 | 4 | 9 | 1.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| 76336527 | 106119 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 501 | 4 | ChEMBL | 433 | 5 | 5 | 10 | 0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133161 | 106119 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 501 | 4 | ChEMBL | 433 | 5 | 5 | 10 | 0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 9893136 | 98813 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 208 | 3 | ChEMBL | 527 | 5 | 4 | 8 | 2.0 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | |||
| CHEMBL27809 | 98813 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 208 | 3 | ChEMBL | 527 | 5 | 4 | 8 | 2.0 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | |||
| 9805713 | 162941 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 309 | 3 | ChEMBL | 493 | 5 | 4 | 8 | 1.3 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | |||
| CHEMBL417292 | 162941 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | 309 | 3 | ChEMBL | 493 | 5 | 4 | 8 | 1.3 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | |||
| 57523714 | 76721 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 528 | 5 | 4 | 8 | 2.5 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL2064653 | 76721 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 528 | 5 | 4 | 8 | 2.5 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| 168281767 | 191032 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 7 | 2 | ChEMBL | 281 | 4 | 1 | 5 | 3.1 | CC(C)c1nn(C)c2c(NCc3ccccc3)nncc12 | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL5185411 | 191032 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 7 | 2 | ChEMBL | 281 | 4 | 1 | 5 | 3.1 | CC(C)c1nn(C)c2c(NCc3ccccc3)nncc12 | 10.1021/acsmedchemlett.2c00052 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9 | 9.0 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm0255724 | |||
| 422 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9 | 9.0 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm0255724 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9 | 9.0 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm0255724 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pEC50 | = | 9 | 9.0 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm0255724 | |||
| 168293746 | 192262 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 2 | 2 | ChEMBL | 281 | 4 | 1 | 5 | 3.1 | CC(C)c1c2cnnc(NCc3ccccc3)c2nn1C | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL5203865 | 192262 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 2 | 2 | ChEMBL | 281 | 4 | 1 | 5 | 3.1 | CC(C)c1c2cnnc(NCc3ccccc3)c2nn1C | 10.1021/acsmedchemlett.2c00052 | |||
| 3035850 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2008.01.070 | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2008.01.070 | |||
| 457 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2008.01.070 | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2008.01.070 | |||
| DB12885 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2008.01.070 | |||
| 57523213 | 2673 | None | 20 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 564 | 5 | 4 | 8 | 2.8 | CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl | 10.1021/jm300396n | |||
| 8421 | 2673 | None | 20 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 564 | 5 | 4 | 8 | 2.8 | CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl | 10.1021/jm300396n | |||
| CHEMBL2064657 | 2673 | None | 20 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 564 | 5 | 4 | 8 | 2.8 | CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl | 10.1021/jm300396n | |||
| 3035850 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.1c00239 | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.1c00239 | |||
| 457 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.1c00239 | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.1c00239 | |||
| DB12885 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.1c00239 | |||
| 44359213 | 119516 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 352 | 3 | 4 | 8 | -0.5 | CNC(=O)C12CC1C(n1cnc3c(NC)nc(Cl)nc31)C(O)C2O | 10.1021/jm020211+ | |||
| CHEMBL345076 | 119516 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 352 | 3 | 4 | 8 | -0.5 | CNC(=O)C12CC1C(n1cnc3c(NC)nc(Cl)nc31)C(O)C2O | 10.1021/jm020211+ | |||
| 91799687 | 118192 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -4 | 2 | ChEMBL | 420 | 3 | 4 | 10 | -0.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| CHEMBL3407774 | 118192 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | -4 | 2 | ChEMBL | 420 | 3 | 4 | 10 | -0.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm501021n | |||
| 122188579 | 123251 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 471 | 4 | 4 | 8 | 2.0 | CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.5b00150 | |||
| CHEMBL3612940 | 123251 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 471 | 4 | 4 | 8 | 2.0 | CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acsmedchemlett.5b00150 | |||
| 76311194 | 106102 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 100 | 4 | ChEMBL | 525 | 5 | 5 | 10 | -0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133078 | 106102 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 100 | 4 | ChEMBL | 525 | 5 | 5 | 10 | -0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 44387284 | 132478 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 568 | 8 | 6 | 11 | -0.4 | CNCC(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm020211+ | |||
| CHEMBL369744 | 132478 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 568 | 8 | 6 | 11 | -0.4 | CNCC(=O)NC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm020211+ | |||
| 44436082 | 148008 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 524 | 6 | 3 | 9 | 1.1 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](OC)[C@@H]1O | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL393362 | 148008 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 524 | 6 | 3 | 9 | 1.1 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](OC)[C@@H]1O | 10.1016/j.bmc.2007.05.056 | |||
| 3086599 | 904 | None | 36 | Human | Functional | pEC50 | = | 8 | 8.0 | -3 | 6 | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | |||
| 375 | 904 | None | 36 | Human | Functional | pEC50 | = | 8 | 8.0 | -3 | 6 | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | |||
| 424 | 904 | None | 36 | Human | Functional | pEC50 | = | 8 | 8.0 | -3 | 6 | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | |||
| CHEMBL331372 | 904 | None | 36 | Human | Functional | pEC50 | = | 8 | 8.0 | -3 | 6 | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | |||
| 76336525 | 106112 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 158 | 3 | ChEMBL | 337 | 4 | 5 | 10 | -1.8 | CCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133154 | 106112 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 158 | 3 | ChEMBL | 337 | 4 | 5 | 10 | -1.8 | CCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | |||
| 76336526 | 106113 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 31 | 3 | ChEMBL | 351 | 5 | 5 | 10 | -1.4 | CCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133155 | 106113 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 31 | 3 | ChEMBL | 351 | 5 | 5 | 10 | -1.4 | CCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | |||
| 164619608 | 185771 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 2089 | 2 | ChEMBL | 433 | 8 | 4 | 9 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | |||
| CHEMBL4864883 | 185771 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 2089 | 2 | ChEMBL | 433 | 8 | 4 | 9 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | |||
| 168288912 | 191737 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | -812 | 4 | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5195714 | 191737 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | -812 | 4 | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 76314797 | 106105 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | 3 | 3 | ChEMBL | 391 | 5 | 5 | 10 | -0.4 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(NC)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133081 | 106105 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | 3 | 3 | ChEMBL | 391 | 5 | 5 | 10 | -0.4 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(NC)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 118732979 | 118584 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -14 | 4 | ChEMBL | 437 | 5 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414945 | 118584 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -14 | 4 | ChEMBL | 437 | 5 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 2844 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 60961 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 90 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| DB00640 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 67431601 | 191185 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -575 | 2 | ChEMBL | 471 | 8 | 4 | 11 | 1.0 | COc1cccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5187478 | 191185 | None | 0 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -575 | 2 | ChEMBL | 471 | 8 | 4 | 11 | 1.0 | COc1cccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 | 10.1021/acs.jmedchem.2c01414 | |||
| 137661670 | 159430 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -1 | 3 | ChEMBL | 509 | 6 | 3 | 12 | 1.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4100130 | 159430 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -1 | 3 | ChEMBL | 509 | 6 | 3 | 12 | 1.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 23643558 | 86103 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 498 | 5 | 0 | 6 | 6.1 | COc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1 | 10.1021/jm070123v | |||
| CHEMBL230854 | 86103 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 498 | 5 | 0 | 6 | 6.1 | COc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1 | 10.1021/jm070123v | |||
| 11706 | 1130 | None | 4 | Human | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 266 | 2 | 3 | 8 | -0.2 | O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC | 10.1021/acs.jmedchem.1c00239 | |||
| 156587569 | 1130 | None | 4 | Human | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 266 | 2 | 3 | 8 | -0.2 | O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC | 10.1021/acs.jmedchem.1c00239 | |||
| CHEMBL5075606 | 1130 | None | 4 | Human | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 266 | 2 | 3 | 8 | -0.2 | O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC | 10.1021/acs.jmedchem.1c00239 | |||
| 71657835 | 159831 | None | 4 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -7 | 4 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL4104819 | 159831 | None | 4 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -7 | 4 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 44579714 | 187091 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 497 | 4 | 3 | 7 | 2.6 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 | 10.1021/jm900426g | |||
| CHEMBL490605 | 187091 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 497 | 4 | 3 | 7 | 2.6 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 | 10.1021/jm900426g | |||
| 137659441 | 159192 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 4 | ChEMBL | 441 | 6 | 3 | 12 | 0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4097468 | 159192 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 1 | 4 | ChEMBL | 441 | 6 | 3 | 12 | 0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 168287894 | 191460 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -11 | 4 | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5191989 | 191460 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -11 | 4 | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 44586227 | 191563 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 433 | 4 | 0 | 9 | 0.8 | CS(=O)(=O)N(c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)S(C)(=O)=O | 10.1016/j.bmc.2008.04.039 | |||
| CHEMBL519319 | 191563 | None | 0 | Human | Functional | pEC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 433 | 4 | 0 | 9 | 0.8 | CS(=O)(=O)N(c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)S(C)(=O)=O | 10.1016/j.bmc.2008.04.039 | |||
| 137661505 | 159590 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -3 | 4 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4101850 | 159590 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -3 | 4 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 137650899 | 157295 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -2 | 4 | ChEMBL | 413 | 6 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4076003 | 157295 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -2 | 4 | ChEMBL | 413 | 6 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 76325694 | 106117 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -1 | 4 | ChEMBL | 391 | 4 | 5 | 10 | -0.5 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133159 | 106117 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -1 | 4 | ChEMBL | 391 | 4 | 5 | 10 | -0.5 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 16109362 | 137892 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -48 | 2 | ChEMBL | 883 | 20 | 6 | 14 | 4.3 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c02067 | |||
| CHEMBL375965 | 137892 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -48 | 2 | ChEMBL | 883 | 20 | 6 | 14 | 4.3 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c02067 | |||
| 57524978 | 91302 | None | 0 | Mouse | Functional | pEC50 | = | 7.9 | 7.9 | 38 | 2 | ChEMBL | 608 | 6 | 5 | 10 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(S(=O)(=O)O)cc4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm4007966 | |||
| CHEMBL2401954 | 91302 | None | 0 | Mouse | Functional | pEC50 | = | 7.9 | 7.9 | 38 | 2 | ChEMBL | 608 | 6 | 5 | 10 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(S(=O)(=O)O)cc4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm4007966 | |||
| 118732982 | 118587 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 4 | ChEMBL | 583 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5I)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414948 | 118587 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 4 | ChEMBL | 583 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5I)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 2844 | 283 | None | 61 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 60961 | 283 | None | 61 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 90 | 283 | None | 61 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| DB00640 | 283 | None | 61 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 168279634 | 191141 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -20 | 3 | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5186981 | 191141 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -20 | 3 | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 168272212 | 190540 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -3 | 4 | ChEMBL | 518 | 10 | 5 | 10 | 1.9 | O=C(NCCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL5178142 | 190540 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -3 | 4 | ChEMBL | 518 | 10 | 5 | 10 | 1.9 | O=C(NCCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 132991435 | 180904 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -141 | 4 | ChEMBL | 558 | 8 | 5 | 12 | 0.8 | O=C(NCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccc(S(=O)(=O)F)cc1 | 10.1021/acs.jmedchem.6b01561 | |||
| CHEMBL4756472 | 180904 | None | 0 | Human | Functional | pEC50 | = | 6.9 | 6.9 | -141 | 4 | ChEMBL | 558 | 8 | 5 | 12 | 0.8 | O=C(NCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccc(S(=O)(=O)F)cc1 | 10.1021/acs.jmedchem.6b01561 | |||
| 70695812 | 73309 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -208 | 3 | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | |||
| CHEMBL2012686 | 73309 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -208 | 3 | ChEMBL | 375 | 5 | 3 | 7 | 2.0 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 | 10.1021/acs.jmedchem.8b01662 | |||
| 10254700 | 205984 | None | 5 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 2 | 3 | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| CHEMBL66393 | 205984 | None | 5 | Human | Functional | pEC50 | = | 7.9 | 7.9 | 2 | 3 | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| 118732975 | 118580 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -4 | 4 | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL3414941 | 118580 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -4 | 4 | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | |||
| 44232535 | 95668 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 538 | 8 | 5 | 9 | 1.7 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)O)nc31)[C@H](O)[C@@H]2O | 10.1016/j.bmcl.2008.04.001 | |||
| CHEMBL257833 | 95668 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 538 | 8 | 5 | 9 | 1.7 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)O)nc31)[C@H](O)[C@@H]2O | 10.1016/j.bmcl.2008.04.001 | |||
| 137657926 | 159862 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -1 | 4 | ChEMBL | 421 | 6 | 3 | 12 | 0.3 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4105164 | 159862 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -1 | 4 | ChEMBL | 421 | 6 | 3 | 12 | 0.3 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | |||
| 137646828 | 158098 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -25 | 4 | ChEMBL | 856 | 16 | 6 | 13 | 6.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNC(=O)c4ccc(-c5sc(N)c(C(=O)c6ccccc6)c5-c5cccc(C(F)(F)F)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4085418 | 158098 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -25 | 4 | ChEMBL | 856 | 16 | 6 | 13 | 6.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNC(=O)c4ccc(-c5sc(N)c(C(=O)c6ccccc6)c5-c5cccc(C(F)(F)F)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.8b00047 | |||
| 168297905 | 192540 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -660 | 4 | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5208245 | 192540 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -660 | 4 | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 168272014 | 190319 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 594 | 12 | 5 | 11 | 3.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCCC4CCCCC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5174613 | 190319 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 594 | 12 | 5 | 11 | 3.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCCC4CCCCC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 168283013 | 190984 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -288 | 4 | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5184828 | 190984 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -288 | 4 | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 76318139 | 105742 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 355 | 5 | 3 | 7 | 1.7 | CCCCC#Cc1nc(NCC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| CHEMBL3125713 | 105742 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 355 | 5 | 3 | 7 | 1.7 | CCCCC#Cc1nc(NCC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| 76329265 | 106116 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 2 | 4 | ChEMBL | 377 | 4 | 5 | 10 | -0.9 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133158 | 106116 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 2 | 4 | ChEMBL | 377 | 4 | 5 | 10 | -0.9 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 168289948 | 191731 | None | 2 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 4 | 2 | ChEMBL | 315 | 4 | 1 | 5 | 3.6 | Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c21 | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL5195631 | 191731 | None | 2 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 4 | 2 | ChEMBL | 315 | 4 | 1 | 5 | 3.6 | Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c21 | 10.1021/acsmedchemlett.2c00052 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | |||
| 168294594 | 192448 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -141 | 2 | ChEMBL | 560 | 8 | 4 | 10 | 1.9 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5206687 | 192448 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -141 | 2 | ChEMBL | 560 | 8 | 4 | 10 | 1.9 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| 168297825 | 192392 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -251 | 4 | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5205907 | 192392 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -251 | 4 | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9905965 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9905965 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9905965 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9905965 | |||
| 44359420 | 33220 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 531 | 13 | 7 | 12 | -2.2 | NC(=O)CCNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2N=CN1NCCc1ccc(CCC(=O)O)cc1 | 10.1021/jm020211+ | |||
| CHEMBL141792 | 33220 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 531 | 13 | 7 | 12 | -2.2 | NC(=O)CCNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2N=CN1NCCc1ccc(CCC(=O)O)cc1 | 10.1021/jm020211+ | |||
| 155562467 | 175324 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 497 | 6 | 4 | 9 | 2.5 | COc1cc(CCNc2nc(C#Cc3ccccc3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O | 10.1021/acs.jmedchem.0c00235 | |||
| CHEMBL4571380 | 175324 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 497 | 6 | 4 | 9 | 2.5 | COc1cc(CCNc2nc(C#Cc3ccccc3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O | 10.1021/acs.jmedchem.0c00235 | |||
| 164617060 | 185515 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 1621 | 2 | ChEMBL | 440 | 9 | 4 | 9 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | |||
| CHEMBL4861092 | 185515 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | 1621 | 2 | ChEMBL | 440 | 9 | 4 | 9 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | |||
| 168276883 | 190309 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -309 | 4 | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5174429 | 190309 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -309 | 4 | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 372 | 58 | None | 56 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -43 | 5 | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm020211+ | |||
| 8974 | 58 | None | 56 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -43 | 5 | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm020211+ | |||
| CHEMBL285819 | 58 | None | 56 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -43 | 5 | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm020211+ | |||
| 168282699 | 191127 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -1584 | 3 | ChEMBL | 427 | 6 | 4 | 10 | 0.9 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5186757 | 191127 | None | 0 | Human | Functional | pEC50 | = | 5.8 | 5.8 | -1584 | 3 | ChEMBL | 427 | 6 | 4 | 10 | 0.9 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 162650156 | 180176 | None | 0 | Rat | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 524 | 5 | 1 | 7 | 6.7 | O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | |||
| CHEMBL4747947 | 180176 | None | 0 | Rat | Functional | pEC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 524 | 5 | 1 | 7 | 6.7 | O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.ejmech.2021.113983 | |||
| 76318140 | 105748 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 435 | 6 | 3 | 7 | 3.0 | CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| CHEMBL3125719 | 105748 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 435 | 6 | 3 | 7 | 3.0 | CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| 11584486 | 140995 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 525 | 6 | 5 | 9 | 0.3 | NC(=O)N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O | 10.1021/jm050968b | |||
| CHEMBL382194 | 140995 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 525 | 6 | 5 | 9 | 0.3 | NC(=O)N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O | 10.1021/jm050968b | |||
| 168285984 | 191851 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -199 | 4 | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5197358 | 191851 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -199 | 4 | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 377 | 2758 | None | 42 | Mouse | Functional | pEC50 | = | 6.7 | 6.7 | -54 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c00235 | |||
| 425 | 2758 | None | 42 | Mouse | Functional | pEC50 | = | 6.7 | 6.7 | -54 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c00235 | |||
| 448222 | 2758 | None | 42 | Mouse | Functional | pEC50 | = | 6.7 | 6.7 | -54 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c00235 | |||
| CHEMBL464859 | 2758 | None | 42 | Mouse | Functional | pEC50 | = | 6.7 | 6.7 | -54 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c00235 | |||
| 76314563 | 105743 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 367 | 5 | 3 | 7 | 1.9 | CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| CHEMBL3125714 | 105743 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 367 | 5 | 3 | 7 | 1.9 | CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| 57523252 | 76728 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 652 | 5 | 4 | 8 | 5.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc5ccc6cccc7ccc4c5c67)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL2064661 | 76728 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 652 | 5 | 4 | 8 | 5.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc5ccc6cccc7ccc4c5c67)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| 137647420 | 157793 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 2 | 4 | ChEMBL | 501 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4081876 | 157793 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 2 | 4 | ChEMBL | 501 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 137638080 | 156927 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 3 | 4 | ChEMBL | 457 | 6 | 3 | 12 | 1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4071338 | 156927 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 3 | 4 | ChEMBL | 457 | 6 | 3 | 12 | 1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 137648928 | 157497 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | ChEMBL | 549 | 6 | 3 | 12 | 1.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4078479 | 157497 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | ChEMBL | 549 | 6 | 3 | 12 | 1.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 71764235 | 91303 | None | 0 | Mouse | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 608 | 6 | 5 | 10 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(S(=O)(=O)O)c4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm4007966 | |||
| CHEMBL2401955 | 91303 | None | 0 | Mouse | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 608 | 6 | 5 | 10 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(S(=O)(=O)O)c4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm4007966 | |||
| 16109359 | 161872 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | ChEMBL | 924 | 21 | 6 | 14 | 4.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061279i | |||
| CHEMBL414055 | 161872 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | ChEMBL | 924 | 21 | 6 | 14 | 4.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061279i | |||
| 16109359 | 161872 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | ChEMBL | 924 | 21 | 6 | 14 | 4.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.0c02067 | |||
| CHEMBL414055 | 161872 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 4 | ChEMBL | 924 | 21 | 6 | 14 | 4.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.0c02067 | |||
| 132938348 | 158306 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 574 | 5 | 4 | 8 | 0.5 | CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00241 | |||
| CHEMBL4088081 | 158306 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 574 | 5 | 4 | 8 | 0.5 | CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00241 | |||
| 45482610 | 200483 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 2 | 2 | ChEMBL | 406 | 4 | 4 | 8 | 0.9 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/jm050726b | |||
| CHEMBL573937 | 200483 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 2 | 2 | ChEMBL | 406 | 4 | 4 | 8 | 0.9 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/jm050726b | |||
| 3035850 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| 457 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| DB12885 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| 127047826 | 140093 | None | 0 | Mouse | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 403 | 2 | 3 | 7 | 0.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.5b01998 | |||
| CHEMBL3800048 | 140093 | None | 0 | Mouse | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 403 | 2 | 3 | 7 | 0.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.5b01998 | |||
| 415 | 3651 | None | 7 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 10.1021/jm020211+ | |||
| 5312112 | 3651 | None | 7 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 10.1021/jm020211+ | |||
| CHEMBL420705 | 3651 | None | 7 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 10.1021/jm020211+ | |||
| 168270868 | 190040 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 578 | 7 | 5 | 11 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5170037 | 190040 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 578 | 7 | 5 | 11 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 168280775 | 191266 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -15 | 4 | ChEMBL | 524 | 7 | 4 | 10 | 2.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(C(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5188601 | 191266 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -15 | 4 | ChEMBL | 524 | 7 | 4 | 10 | 2.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(C(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 168270868 | 190040 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 578 | 7 | 5 | 11 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5170037 | 190040 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 578 | 7 | 5 | 11 | 1.8 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(F)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 155537599 | 172427 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 491 | 5 | 3 | 8 | 3.5 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3ccccc3)nc(C#Cc3ccc(Cl)s3)nc21 | 10.1021/acs.jmedchem.0c00235 | |||
| CHEMBL4475372 | 172427 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 491 | 5 | 3 | 8 | 3.5 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3ccccc3)nc(C#Cc3ccc(Cl)s3)nc21 | 10.1021/acs.jmedchem.0c00235 | |||
| 380 | 1287 | None | 37 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -724 | 5 | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm020211+ | |||
| 657378 | 1287 | None | 37 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -724 | 5 | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm020211+ | |||
| CHEMBL68738 | 1287 | None | 37 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -724 | 5 | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm020211+ | |||
| 137657841 | 159664 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 4 | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4102750 | 159664 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 4 | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 168278159 | 190469 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -812 | 4 | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL5177040 | 190469 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -812 | 4 | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 76332918 | 106110 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 433 | 7 | 4 | 10 | 0.4 | CCN(CC)c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c2n1 | 10.1039/C3MD00364G | |||
| CHEMBL3133152 | 106110 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 433 | 7 | 4 | 10 | 0.4 | CCN(CC)c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c2n1 | 10.1039/C3MD00364G | |||
| 10450691 | 99512 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 352 | 3 | 4 | 8 | -0.5 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/s0960-894x(01)00213-x | |||
| CHEMBL283057 | 99512 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 352 | 3 | 4 | 8 | -0.5 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/s0960-894x(01)00213-x | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm020211+ | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm020211+ | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm020211+ | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm020211+ | |||
| 8975 | 100453 | None | 49 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 285 | 2 | 4 | 9 | -1.8 | Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm020211+ | |||
| CHEMBL290077 | 100453 | None | 49 | Human | Functional | pEC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 285 | 2 | 4 | 9 | -1.8 | Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm020211+ | |||
| 414 | 3382 | None | 22 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 5 | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10.1021/jm020211+ | |||
| 93205 | 3382 | None | 22 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 5 | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10.1021/jm020211+ | |||
| CHEMBL139000 | 3382 | None | 22 | Human | Functional | pEC50 | = | 7.6 | 7.6 | -3 | 5 | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10.1021/jm020211+ | |||
| 11756182 | 79256 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 513 | 6 | 3 | 9 | 2.0 | CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| CHEMBL2113427 | 79256 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 513 | 6 | 3 | 9 | 2.0 | CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| 76332686 | 105744 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 395 | 5 | 3 | 7 | 2.6 | CCCCC#Cc1nc(NC2CCCC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| CHEMBL3125715 | 105744 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 395 | 5 | 3 | 7 | 2.6 | CCCCC#Cc1nc(NC2CCCC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| 168270204 | 190172 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -19498 | 2 | ChEMBL | 560 | 8 | 4 | 10 | 1.9 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5172389 | 190172 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -19498 | 2 | ChEMBL | 560 | 8 | 4 | 10 | 1.9 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 168283120 | 191170 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -20892 | 4 | ChEMBL | 498 | 8 | 4 | 11 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5187330 | 191170 | None | 0 | Human | Functional | pEC50 | = | 5.6 | 5.6 | -20892 | 4 | ChEMBL | 498 | 8 | 4 | 11 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 144852560 | 171039 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| CHEMBL4455344 | 171039 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 343 | 2 | 2 | 5 | 3.8 | Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | |||
| 137639588 | 156976 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccccc2C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4072009 | 156976 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | 1 | 3 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccccc2C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 137646655 | 157718 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -4 | 4 | ChEMBL | 711 | 13 | 6 | 12 | 4.8 | Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)s1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4081224 | 157718 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -4 | 4 | ChEMBL | 711 | 13 | 6 | 12 | 4.8 | Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)s1 | 10.1021/acs.jmedchem.8b00047 | |||
| 2844 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | |||
| 60961 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | |||
| 90 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | |||
| DB00640 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | |||
| 2844 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | |||
| 60961 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | |||
| 90 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | |||
| DB00640 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | |||
| 2844 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | |||
| 60961 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | |||
| 90 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | |||
| DB00640 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | |||
| 2844 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | |||
| 60961 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | |||
| 90 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | |||
| DB00640 | 283 | None | 61 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | |||
| 44354130 | 23531 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 554 | 5 | 4 | 8 | 1.7 | CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C(O)C2O | 10.1021/jm020211+ | |||
| CHEMBL133387 | 23531 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 554 | 5 | 4 | 8 | 1.7 | CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C(O)C2O | 10.1021/jm020211+ | |||
| CHEMBL5078671 | 217065 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | -1 | 2 | ChEMBL | None | None | None | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.0c02067 | |||||
| 71764237 | 91307 | None | 0 | Mouse | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 508 | 6 | 4 | 8 | 1.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm4007966 | |||
| CHEMBL2402024 | 91307 | None | 0 | Mouse | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 508 | 6 | 4 | 8 | 1.9 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/jm4007966 | |||
| 9828356 | 10532 | None | 13 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 528 | 8 | 4 | 12 | 1.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N | 10.1021/jm0255724 | |||
| CHEMBL116878 | 10532 | None | 13 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 528 | 8 | 4 | 12 | 1.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N | 10.1021/jm0255724 | |||
| 137642036 | 158244 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 2 | 4 | ChEMBL | 387 | 6 | 3 | 12 | -0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4087306 | 158244 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 2 | 4 | ChEMBL | 387 | 6 | 3 | 12 | -0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| 422 | 3121 | None | 46 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm020211+ | |||
| 23643659 | 92362 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 454 | 5 | 1 | 4 | 6.3 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 | 10.1021/jm070123v | |||
| CHEMBL242849 | 92362 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 454 | 5 | 1 | 4 | 6.3 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 | 10.1021/jm070123v | |||
| 76329263 | 106103 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 19 | 4 | ChEMBL | 413 | 6 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133079 | 106103 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 19 | 4 | ChEMBL | 413 | 6 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 168293442 | 192244 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -12589 | 4 | ChEMBL | 546 | 7 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5203632 | 192244 | None | 0 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -12589 | 4 | ChEMBL | 546 | 7 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 44563977 | 189808 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 574 | 6 | 4 | 10 | 1.7 | CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm8014052 | |||
| CHEMBL515442 | 189808 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 574 | 6 | 4 | 10 | 1.7 | CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm8014052 | |||
| 168274237 | 190578 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 524 | 10 | 5 | 11 | 1.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC4CC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5178814 | 190578 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 524 | 10 | 5 | 11 | 1.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC4CC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 137651747 | 157573 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 4 | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4079433 | 157573 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -1 | 4 | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 76329266 | 106118 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 3 | 4 | ChEMBL | 399 | 5 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133160 | 106118 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | 3 | 4 | ChEMBL | 399 | 5 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 56627882 | 118576 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -8 | 4 | ChEMBL | 367 | 3 | 3 | 12 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414937 | 118576 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -8 | 4 | ChEMBL | 367 | 3 | 3 | 12 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 57523253 | 76702 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 652 | 5 | 4 | 8 | 5.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cc5cccc6ccc7cccc4c7c65)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL2064634 | 76702 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 652 | 5 | 4 | 8 | 5.4 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cc5cccc6ccc7cccc4c7c65)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| 118732980 | 118585 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -4 | 4 | ChEMBL | 461 | 5 | 3 | 12 | 1.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414946 | 118585 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | -4 | 4 | ChEMBL | 461 | 5 | 3 | 12 | 1.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 137652475 | 157237 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 4 | ChEMBL | 829 | 16 | 6 | 13 | 6.5 | Nc1sc(-c2ccc(C(=O)NCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4075186 | 157237 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 4 | ChEMBL | 829 | 16 | 6 | 13 | 6.5 | Nc1sc(-c2ccc(C(=O)NCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 137641858 | 158399 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 4 | ChEMBL | 696 | 13 | 5 | 11 | 5.3 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(-c2sccc2-c2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4089092 | 158399 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 4 | ChEMBL | 696 | 13 | 5 | 11 | 5.3 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(-c2sccc2-c2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2008.04.001 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2008.04.001 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2008.04.001 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2008.04.001 | |||
| 162645916 | 179602 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 4 | ChEMBL | 414 | 6 | 4 | 11 | 0.8 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CN=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | |||
| CHEMBL4741079 | 179602 | None | 0 | Human | Functional | pEC50 | = | 6.5 | 6.5 | -4 | 4 | ChEMBL | 414 | 6 | 4 | 11 | 0.8 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CN=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | |||
| 168288096 | 191812 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 580 | 6 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5196916 | 191812 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 580 | 6 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 168288096 | 191812 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 580 | 6 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5196916 | 191812 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 580 | 6 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 42626221 | 179519 | None | 12 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 412 | 4 | 1 | 8 | 2.7 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1 | 10.1021/jm8014876 | |||
| CHEMBL474016 | 179519 | None | 12 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 412 | 4 | 1 | 8 | 2.7 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1 | 10.1021/jm8014876 | |||
| 393595 | 2637 | None | 36 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| 448 | 2637 | None | 36 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| CHEMBL88147 | 2637 | None | 36 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acsmedchemlett.2c00052 | |||
| 118732981 | 118586 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 4 | ChEMBL | 495 | 5 | 3 | 12 | 2.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414947 | 118586 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 4 | ChEMBL | 495 | 5 | 3 | 12 | 2.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 168274237 | 190578 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 524 | 10 | 5 | 11 | 1.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC4CC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5178814 | 190578 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 524 | 10 | 5 | 11 | 1.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC4CC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 98567 | 191890 | None | 12 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acsmedchemlett.5b00150 | |||
| CHEMBL519809 | 191890 | None | 12 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 2 | 3 | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acsmedchemlett.5b00150 | |||
| 168277923 | 190788 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 484 | 8 | 5 | 11 | 0.2 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OC)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5181821 | 190788 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 484 | 8 | 5 | 11 | 0.2 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OC)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 92208 | 142440 | None | 42 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -3 | 2 | ChEMBL | 357 | 5 | 4 | 9 | 0.1 | OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| CHEMBL388757 | 142440 | None | 42 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -3 | 2 | ChEMBL | 357 | 5 | 4 | 9 | 0.1 | OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| 118732975 | 118580 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414941 | 118580 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 168281601 | 191380 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 594 | 7 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5190575 | 191380 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 594 | 7 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 76329264 | 106109 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 12 | 3 | ChEMBL | 405 | 6 | 5 | 10 | -0.0 | CCNc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c2n1 | 10.1039/C3MD00364G | |||
| CHEMBL3133151 | 106109 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 12 | 3 | ChEMBL | 405 | 6 | 5 | 10 | -0.0 | CCNc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c2n1 | 10.1039/C3MD00364G | |||
| 76311197 | 106114 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 19 | 3 | ChEMBL | 365 | 6 | 5 | 10 | -1.0 | CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133156 | 106114 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | 19 | 3 | ChEMBL | 365 | 6 | 5 | 10 | -1.0 | CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | |||
| 3035850 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.0c00235 | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.0c00235 | |||
| 457 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.0c00235 | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.0c00235 | |||
| DB12885 | 951 | None | 50 | Human | Functional | pEC50 | = | 8.4 | 8.4 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.0c00235 | |||
| 44579716 | 187092 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 449 | 4 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21 | 10.1021/jm900426g | |||
| CHEMBL490606 | 187092 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 449 | 4 | 3 | 7 | 2.8 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21 | 10.1021/jm900426g | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | |||
| 136048802 | 140103 | None | 0 | Mouse | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 507 | 4 | 4 | 8 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(/C=C(\O)c4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.5b01998 | |||
| CHEMBL3800106 | 140103 | None | 0 | Mouse | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 507 | 4 | 4 | 8 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(/C=C(\O)c4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.5b01998 | |||
| 137649841 | 157522 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -3 | 4 | ChEMBL | 656 | 14 | 5 | 12 | 3.8 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4078771 | 157522 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -3 | 4 | ChEMBL | 656 | 14 | 5 | 12 | 3.8 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1 | 10.1021/acs.jmedchem.8b00047 | |||
| 168269860 | 190085 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -1949 | 3 | ChEMBL | 512 | 9 | 4 | 11 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5170857 | 190085 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -1949 | 3 | ChEMBL | 512 | 9 | 4 | 11 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 168281601 | 191380 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 594 | 7 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5190575 | 191380 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 594 | 7 | 5 | 11 | 2.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(O)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 132991434 | 180064 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | ChEMBL | 564 | 8 | 6 | 12 | 2.4 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CNC(=S)Nc5ccc(N=C=S)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | |||
| CHEMBL4746617 | 180064 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -4 | 4 | ChEMBL | 564 | 8 | 6 | 12 | 2.4 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CNC(=S)Nc5ccc(N=C=S)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | |||
| 137650221 | 157347 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 4 | ChEMBL | 463 | 6 | 3 | 13 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4076561 | 157347 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | -1 | 4 | ChEMBL | 463 | 6 | 3 | 13 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 137650918 | 157337 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -12 | 4 | ChEMBL | 671 | 14 | 6 | 13 | 3.4 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4076495 | 157337 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -12 | 4 | ChEMBL | 671 | 14 | 6 | 13 | 3.4 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 137650461 | 157348 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 4 | ChEMBL | 857 | 16 | 6 | 13 | 6.4 | CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4076565 | 157348 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | -1 | 4 | ChEMBL | 857 | 16 | 6 | 13 | 6.4 | CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 76321824 | 105741 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 341 | 4 | 3 | 7 | 1.3 | CCCCC#Cc1nc(NC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| CHEMBL3125712 | 105741 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 341 | 4 | 3 | 7 | 1.3 | CCCCC#Cc1nc(NC)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1 | 10.1021/jm4015313 | |||
| 168292629 | 192159 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 526 | 10 | 5 | 11 | 1.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5202349 | 192159 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 526 | 10 | 5 | 11 | 1.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 44436080 | 88674 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 308 | 3 | 3 | 9 | -1.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC)[C@@H]1O | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL235742 | 88674 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 308 | 3 | 3 | 9 | -1.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC)[C@@H]1O | 10.1016/j.bmc.2007.05.056 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | |||
| 10407895 | 79249 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 387 | 6 | 3 | 9 | 1.4 | CSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| CHEMBL2113420 | 79249 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 387 | 6 | 3 | 9 | 1.4 | CSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm981090+ | |||
| 168276950 | 190406 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 540 | 11 | 5 | 11 | 1.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5175945 | 190406 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 540 | 11 | 5 | 11 | 1.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 76322076 | 106104 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 39 | 4 | ChEMBL | 489 | 7 | 5 | 10 | 1.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133080 | 106104 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 39 | 4 | ChEMBL | 489 | 7 | 5 | 10 | 1.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 76332919 | 106111 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 316 | 3 | ChEMBL | 323 | 3 | 5 | 10 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133153 | 106111 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 316 | 3 | ChEMBL | 323 | 3 | 5 | 10 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 76318403 | 106115 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 12 | 4 | ChEMBL | 363 | 4 | 5 | 10 | -1.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133157 | 106115 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 12 | 4 | ChEMBL | 363 | 4 | 5 | 10 | -1.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 57523213 | 2673 | None | 20 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 564 | 5 | 4 | 8 | 2.8 | CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.8b00435 | |||
| 8421 | 2673 | None | 20 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 564 | 5 | 4 | 8 | 2.8 | CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL2064657 | 2673 | None | 20 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 564 | 5 | 4 | 8 | 2.8 | CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl | 10.1021/acs.jmedchem.8b00435 | |||
| 10254700 | 205984 | None | 5 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 2 | 3 | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9905965 | |||
| CHEMBL66393 | 205984 | None | 5 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 2 | 3 | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9905965 | |||
| 162650156 | 180176 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 524 | 5 | 1 | 7 | 6.7 | O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | |||
| CHEMBL4747947 | 180176 | None | 0 | Rat | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 524 | 5 | 1 | 7 | 6.7 | O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | |||
| 118732974 | 118579 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -2 | 4 | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL3414940 | 118579 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | -2 | 4 | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 44359364 | 30640 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 520 | 5 | 4 | 8 | 1.1 | CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)ncnc31)C(O)C2O | 10.1021/jm020211+ | |||
| CHEMBL139417 | 30640 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 520 | 5 | 4 | 8 | 1.1 | CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)ncnc31)C(O)C2O | 10.1021/jm020211+ | |||
| 9996279 | 110411 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 323 | 2 | 1 | 7 | 1.2 | O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12 | 10.1021/jm031136l | |||
| CHEMBL324095 | 110411 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 323 | 2 | 1 | 7 | 1.2 | O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12 | 10.1021/jm031136l | |||
| 16109362 | 137892 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -48 | 2 | ChEMBL | 883 | 20 | 6 | 14 | 4.3 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c02067 | |||
| CHEMBL375965 | 137892 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -48 | 2 | ChEMBL | 883 | 20 | 6 | 14 | 4.3 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.0c02067 | |||
| 168277923 | 190788 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 484 | 8 | 5 | 11 | 0.2 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OC)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5181821 | 190788 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 484 | 8 | 5 | 11 | 0.2 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OC)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 168292629 | 192159 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 526 | 10 | 5 | 11 | 1.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5202349 | 192159 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 526 | 10 | 5 | 11 | 1.3 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 118732974 | 118579 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -2 | 4 | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414940 | 118579 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | -2 | 4 | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 168290627 | 192112 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 4 | ChEMBL | 859 | 11 | 6 | 13 | 6.6 | Nc1sc(-c2ccc(C(=O)NCCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL5201533 | 192112 | None | 0 | Human | Functional | pEC50 | = | 6.3 | 6.3 | -3 | 4 | ChEMBL | 859 | 11 | 6 | 13 | 6.6 | Nc1sc(-c2ccc(C(=O)NCCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 137641990 | 158171 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 1 | 4 | ChEMBL | 447 | 6 | 3 | 13 | 0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4086325 | 158171 | None | 0 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 1 | 4 | ChEMBL | 447 | 6 | 3 | 13 | 0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 9850648 | 98203 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 554 | 5 | 4 | 8 | 1.7 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/s0960-894x(01)00213-x | |||
| CHEMBL27376 | 98203 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 554 | 5 | 4 | 8 | 1.7 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1016/s0960-894x(01)00213-x | |||
| 71355811 | 79234 | None | 6 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 1348 | 2 | ChEMBL | 399 | 8 | 4 | 9 | 0.9 | OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | |||
| CHEMBL2113406 | 79234 | None | 6 | Human | Functional | pEC50 | = | 7.3 | 7.3 | 1348 | 2 | ChEMBL | 399 | 8 | 4 | 9 | 0.9 | OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | |||
| 162650156 | 180176 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 524 | 5 | 1 | 7 | 6.7 | O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | |||
| CHEMBL4747947 | 180176 | None | 0 | Rat | Functional | pEC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 524 | 5 | 1 | 7 | 6.7 | O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | |||
| 168286257 | 191705 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -11 | 4 | ChEMBL | 863 | 14 | 6 | 13 | 6.3 | Nc1sc(-c2ccc(C(=O)NCCc3ccc(CCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL5195260 | 191705 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -11 | 4 | ChEMBL | 863 | 14 | 6 | 13 | 6.3 | Nc1sc(-c2ccc(C(=O)NCCc3ccc(CCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 137642153 | 158460 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 4 | ChEMBL | 429 | 6 | 3 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4089741 | 158460 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -4 | 4 | ChEMBL | 429 | 6 | 3 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 118732972 | 118577 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 15 | 4 | ChEMBL | 347 | 4 | 3 | 12 | -1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414938 | 118577 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | 15 | 4 | ChEMBL | 347 | 4 | 3 | 12 | -1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 118732978 | 118583 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -7 | 4 | ChEMBL | 403 | 5 | 3 | 13 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414944 | 118583 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -7 | 4 | ChEMBL | 403 | 5 | 3 | 13 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 76325693 | 106106 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 7 | 2 | ChEMBL | 405 | 5 | 4 | 10 | -0.4 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N(C)C)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| CHEMBL3133082 | 106106 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | 7 | 2 | ChEMBL | 405 | 5 | 4 | 10 | -0.4 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N(C)C)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | |||
| 168293013 | 192218 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 548 | 6 | 4 | 9 | 2.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5203255 | 192218 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 548 | 6 | 4 | 9 | 2.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 137653409 | 159129 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 4 | ChEMBL | 567 | 12 | 6 | 12 | 2.2 | Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)s1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4096796 | 159129 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 4 | ChEMBL | 567 | 12 | 6 | 12 | 2.2 | Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)s1 | 10.1021/acs.jmedchem.8b00047 | |||
| 168293013 | 192218 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 548 | 6 | 4 | 9 | 2.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5203255 | 192218 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 548 | 6 | 4 | 9 | 2.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 168285878 | 191742 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 594 | 8 | 4 | 10 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(I)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5195772 | 191742 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 594 | 8 | 4 | 10 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(I)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 168269866 | 190097 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -229 | 4 | ChEMBL | 468 | 7 | 4 | 10 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5171042 | 190097 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | -229 | 4 | ChEMBL | 468 | 7 | 4 | 10 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 10256116 | 99136 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 520 | 5 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O | 10.1016/s0960-894x(01)00213-x | |||
| CHEMBL280580 | 99136 | None | 0 | Human | Functional | pEC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 520 | 5 | 4 | 8 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O | 10.1016/s0960-894x(01)00213-x | |||
| 168276950 | 190406 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 540 | 11 | 5 | 11 | 1.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5175945 | 190406 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 540 | 11 | 5 | 11 | 1.6 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCC(C)C)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 155540779 | 172618 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 581 | 6 | 4 | 10 | 3.3 | COc1cc(CCNc2nc(C#Cc3ccc(Br)s3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O | 10.1021/acs.jmedchem.0c00235 | |||
| CHEMBL4483546 | 172618 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 581 | 6 | 4 | 10 | 3.3 | COc1cc(CCNc2nc(C#Cc3ccc(Br)s3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O | 10.1021/acs.jmedchem.0c00235 | |||
| 137661132 | 159268 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 2 | 4 | ChEMBL | 491 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4098377 | 159268 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 2 | 4 | ChEMBL | 491 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 118732973 | 118578 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 30 | 4 | ChEMBL | 381 | 4 | 3 | 12 | -0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414939 | 118578 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 30 | 4 | ChEMBL | 381 | 4 | 3 | 12 | -0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 57523251 | 76727 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 604 | 6 | 4 | 8 | 4.2 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(-c5ccccc5)cc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL2064660 | 76727 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 604 | 6 | 4 | 8 | 4.2 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(-c5ccccc5)cc4)nc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.8b00435 | |||
| 118732977 | 118582 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -70 | 3 | ChEMBL | 461 | 5 | 3 | 12 | 1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414943 | 118582 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -70 | 3 | ChEMBL | 461 | 5 | 3 | 12 | 1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 168285878 | 191742 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 594 | 8 | 4 | 10 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(I)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5195772 | 191742 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 594 | 8 | 4 | 10 | 1.1 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(I)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm050968b | |||
| 168293564 | 192266 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -125 | 4 | ChEMBL | 849 | 13 | 6 | 13 | 6.8 | Nc1sc(-c2ccc(C(=O)NCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL5203917 | 192266 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -125 | 4 | ChEMBL | 849 | 13 | 6 | 13 | 6.8 | Nc1sc(-c2ccc(C(=O)NCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 71657835 | 159831 | None | 4 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -7 | 4 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4104819 | 159831 | None | 4 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -7 | 4 | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | |||
| 380 | 1287 | None | 37 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -724 | 5 | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm9905965 | |||
| 657378 | 1287 | None | 37 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -724 | 5 | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm9905965 | |||
| CHEMBL68738 | 1287 | None | 37 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -724 | 5 | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm9905965 | |||
| 11962166 | 77906 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 559 | 8 | 5 | 12 | -0.8 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCC(=O)N4CCNCC4)ncnc32)[C@H](O)[C@@H]1N | 10.1016/j.bmcl.2006.01.088 | |||
| CHEMBL209352 | 77906 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 559 | 8 | 5 | 12 | -0.8 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCC(=O)N4CCNCC4)ncnc32)[C@H](O)[C@@H]1N | 10.1016/j.bmcl.2006.01.088 | |||
| 44359214 | 116823 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 311 | 2 | 4 | 8 | -0.7 | Nc1nc(Cl)nc2c1ncn2C1C(O)C(O)C2(CO)CC12 | 10.1021/jm020211+ | |||
| CHEMBL337602 | 116823 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 311 | 2 | 4 | 8 | -0.7 | Nc1nc(Cl)nc2c1ncn2C1C(O)C(O)C2(CO)CC12 | 10.1021/jm020211+ | |||
| 11743031 | 29835 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 423 | 8 | 3 | 10 | -0.7 | CCCCn1c(=O)c2c(ncn2[C@@H]2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O | 10.1021/jm020211+ | |||
| CHEMBL138746 | 29835 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 423 | 8 | 3 | 10 | -0.7 | CCCCn1c(=O)c2c(ncn2[C@@H]2O[C@H](C(=O)NC)[C@@H](O)[C@H]2O)n(CCCC)c1=O | 10.1021/jm020211+ | |||
| 118732976 | 118581 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -17 | 4 | ChEMBL | 427 | 5 | 3 | 12 | 0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414942 | 118581 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -17 | 4 | ChEMBL | 427 | 5 | 3 | 12 | 0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 137643164 | 158193 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -46 | 4 | ChEMBL | 552 | 12 | 5 | 11 | 2.6 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cccs2)c1 | 10.1021/acs.jmedchem.8b00047 | |||
| CHEMBL4086624 | 158193 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -46 | 4 | ChEMBL | 552 | 12 | 5 | 11 | 2.6 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cccs2)c1 | 10.1021/acs.jmedchem.8b00047 | |||
| 168274691 | 190648 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -457 | 2 | ChEMBL | 519 | 7 | 4 | 10 | 1.8 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| CHEMBL5179726 | 190648 | None | 0 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -457 | 2 | ChEMBL | 519 | 7 | 4 | 10 | 1.8 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031136l | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031136l | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031136l | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031136l | |||
| 168272014 | 190319 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 594 | 12 | 5 | 11 | 3.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCCC4CCCCC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| CHEMBL5174613 | 190319 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 594 | 12 | 5 | 11 | 3.0 | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OCCCC4CCCCC4)nc31)[C@H](O)[C@@H]2O | 10.1016/j.ejmech.2021.113983 | |||
| 10254700 | 205984 | None | 5 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 2 | 3 | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm020211+ | |||
| CHEMBL66393 | 205984 | None | 5 | Human | Functional | pEC50 | = | 7.1 | 7.1 | 2 | 3 | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm020211+ | |||
| 168293183 | 192235 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -1 | 3 | ChEMBL | 767 | 16 | 6 | 13 | 4.7 | Nc1sc(CCC(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| CHEMBL5203535 | 192235 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | -1 | 3 | ChEMBL | 767 | 16 | 6 | 13 | 4.7 | Nc1sc(CCC(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | |||
| 377 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm981090+ | |||
| 425 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm981090+ | |||
| 448222 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm981090+ | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pEC50 | = | 7.1 | 7.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm981090+ | |||
| 137636099 | 155915 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 1 | 4 | ChEMBL | 535 | 6 | 3 | 12 | 1.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| CHEMBL4059961 | 155915 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | 1 | 4 | ChEMBL | 535 | 6 | 3 | 12 | 1.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | |||
| 118732971 | 118575 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -39 | 4 | ChEMBL | 333 | 3 | 3 | 12 | -1.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| CHEMBL3414936 | 118575 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -39 | 4 | ChEMBL | 333 | 3 | 3 | 12 | -1.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | |||
| 3035850 | 951 | None | 50 | Human | Functional | pED50 | = | 7 | 7.0 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pED50 | = | 7 | 7.0 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| 457 | 951 | None | 50 | Human | Functional | pED50 | = | 7 | 7.0 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pED50 | = | 7 | 7.0 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| DB12885 | 951 | None | 50 | Human | Functional | pED50 | = | 7 | 7.0 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| 11619671 | 75980 | None | 0 | Human | Functional | pED50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 466 | 6 | 4 | 10 | 0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | |||
| CHEMBL205225 | 75980 | None | 0 | Human | Functional | pED50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 466 | 6 | 4 | 10 | 0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#Cc4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pED50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| 422 | 3121 | None | 46 | Human | Functional | pED50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pED50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pED50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.8 | 10.8 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.8 | 10.8 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.8 | 10.8 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.8 | 10.8 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.7 | 10.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.7 | 10.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.7 | 10.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.7 | 10.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.6 | 10.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 10.3 | 10.3 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 46237929 | 8958 | None | 0 | Human | Functional | pIC50 | = | 10.2 | 10.2 | 138 | 2 | ChEMBL | 359 | 4 | 1 | 6 | 3.3 | COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 | 10.1021/jm901785w | |||
| CHEMBL1098108 | 8958 | None | 0 | Human | Functional | pIC50 | = | 10.2 | 10.2 | 138 | 2 | ChEMBL | 359 | 4 | 1 | 6 | 3.3 | COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 | 10.1021/jm901785w | |||
| 393595 | 2637 | None | 36 | Human | Functional | pIC50 | = | 10.0 | 10.0 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acs.jmedchem.2c01123 | |||
| 448 | 2637 | None | 36 | Human | Functional | pIC50 | = | 10.0 | 10.0 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL88147 | 2637 | None | 36 | Human | Functional | pIC50 | = | 10.0 | 10.0 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acs.jmedchem.2c01123 | |||
| 127036560 | 137613 | None | 0 | Human | Functional | pIC50 | = | 10.0 | 10.0 | - | 1 | ChEMBL | 427 | 5 | 1 | 7 | 4.8 | COc1ccc(C(=O)Nc2nc(-c3cccs3)nc3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3754229 | 137613 | None | 0 | Human | Functional | pIC50 | = | 10.0 | 10.0 | - | 1 | ChEMBL | 427 | 5 | 1 | 7 | 4.8 | COc1ccc(C(=O)Nc2nc(-c3cccs3)nc3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 11611903 | 83129 | None | 0 | Human | Functional | pIC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | 439 | 6 | 4 | 9 | 1.1 | OC[C@H]1O[C@@H](n2cnc3c(C(F)(F)F)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300087j | |||
| CHEMBL2181968 | 83129 | None | 0 | Human | Functional | pIC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | 439 | 6 | 4 | 9 | 1.1 | OC[C@H]1O[C@@H](n2cnc3c(C(F)(F)F)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300087j | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.7 | 9.7 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.7 | 9.7 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.7 | 9.7 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.7 | 9.7 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.6 | 9.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.6 | 9.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.6 | 9.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.6 | 9.6 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.5 | 9.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.5 | 9.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.5 | 9.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.5 | 9.5 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 9863617 | 73544 | None | 0 | Human | Functional | pIC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 358 | 3 | 4 | 9 | -0.4 | CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm034098e | |||
| CHEMBL201706 | 73544 | None | 0 | Human | Functional | pIC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 358 | 3 | 4 | 9 | -0.4 | CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm034098e | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.3 | 9.3 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 23656936 | 154986 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | 2630 | 2 | ChEMBL | 425 | 4 | 1 | 7 | 3.6 | COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1 | 10.1021/jm0708376 | |||
| CHEMBL400812 | 154986 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | 2630 | 2 | ChEMBL | 425 | 4 | 1 | 7 | 3.6 | COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1 | 10.1021/jm0708376 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 11813713 | 73008 | None | 2 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 560 | 5 | 4 | 9 | 1.8 | CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm034098e | |||
| CHEMBL200732 | 73008 | None | 2 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 560 | 5 | 4 | 9 | 1.8 | CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm034098e | |||
| 135418454 | 16534 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 360 | 4 | 1 | 5 | 4.0 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 | 10.1021/jm300087j | |||
| CHEMBL123705 | 16534 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 360 | 4 | 1 | 5 | 4.0 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 | 10.1021/jm300087j | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 9887859 | 113576 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300087j | |||
| CHEMBL118923 | 113576 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300087j | |||
| CHEMBL332091 | 113576 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300087j | |||
| 46237928 | 8811 | None | 0 | Human | Functional | pIC50 | = | 9.1 | 9.1 | 42 | 2 | ChEMBL | 329 | 3 | 1 | 5 | 3.3 | Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 | 10.1021/jm901785w | |||
| CHEMBL1096754 | 8811 | None | 0 | Human | Functional | pIC50 | = | 9.1 | 9.1 | 42 | 2 | ChEMBL | 329 | 3 | 1 | 5 | 3.3 | Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 | 10.1021/jm901785w | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.1 | 9.1 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.0 | 9.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01123 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.0 | 9.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01123 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.0 | 9.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 9.0 | 9.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01123 | |||
| 11782906 | 75037 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 344 | 2 | 4 | 9 | -0.9 | CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm034098e | |||
| CHEMBL203357 | 75037 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 344 | 2 | 4 | 9 | -0.9 | CNC(=O)[C@H]1S[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm034098e | |||
| 127036564 | 137539 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 398 | 4 | 1 | 7 | 4.2 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3753642 | 137539 | None | 0 | Human | Functional | pIC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 398 | 4 | 1 | 7 | 4.2 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 45483968 | 200526 | None | 0 | Human | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1124 | 21 | 6 | 14 | 6.8 | CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn([C@H]5[C@H](O)[C@H](O)[C@@]6(C(=O)NC)C[C@H]56)c4n3)c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 | 10.1021/jm900426g | |||
| CHEMBL574212 | 200526 | None | 0 | Human | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1124 | 21 | 6 | 14 | 6.8 | CCN1/C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn([C@H]5[C@H](O)[C@H](O)[C@@]6(C(=O)NC)C[C@H]56)c4n3)c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 | 10.1021/jm900426g | |||
| 2844 | 283 | None | 61 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 60961 | 283 | None | 61 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 60961.0 | 283 | None | 61 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 90 | 283 | None | 61 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL477 | 283 | None | 61 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| DB00640 | 283 | None | 61 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -1 | 5 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 52936298 | 61293 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 370 | 4 | 2 | 4 | 3.7 | O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 | 10.1021/jm101328n | |||
| CHEMBL1766359 | 61293 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 370 | 4 | 2 | 4 | 3.7 | O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 | 10.1021/jm101328n | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 3035850 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmc.2014.05.036 | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmc.2014.05.036 | |||
| 457 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmc.2014.05.036 | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmc.2014.05.036 | |||
| DB12885 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.9 | 8.9 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1016/j.bmc.2014.05.036 | |||
| 24768450 | 167280 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 331 | 8 | 1 | 5 | 3.6 | CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1 | 10.1021/jm701159t | |||
| CHEMBL429131 | 167280 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 331 | 8 | 1 | 5 | 3.6 | CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1 | 10.1021/jm701159t | |||
| 44436081 | 166861 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 497 | 6 | 3 | 9 | 1.3 | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21 | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL428377 | 166861 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 497 | 6 | 3 | 9 | 1.3 | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21 | 10.1016/j.bmc.2007.05.056 | |||
| 135423046 | 37715 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 390 | 4 | 3 | 8 | 2.9 | COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| CHEMBL145767 | 37715 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 390 | 4 | 3 | 8 | 2.9 | COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| 24768452 | 98048 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 337 | 6 | 1 | 5 | 3.8 | CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 | 10.1021/jm701159t | |||
| CHEMBL272795 | 98048 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 337 | 6 | 1 | 5 | 3.8 | CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 | 10.1021/jm701159t | |||
| 46237928 | 8811 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 42 | 2 | ChEMBL | 329 | 3 | 1 | 5 | 3.3 | Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 | 10.1021/jm901785w | |||
| CHEMBL1096754 | 8811 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 42 | 2 | ChEMBL | 329 | 3 | 1 | 5 | 3.3 | Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 | 10.1021/jm901785w | |||
| 168283522 | 191187 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 5 | 2 | ChEMBL | 325 | 5 | 2 | 7 | 2.6 | COc1cc(Nc2nc(C#N)cc3cn[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5187501 | 191187 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 5 | 2 | ChEMBL | 325 | 5 | 2 | 7 | 2.6 | COc1cc(Nc2nc(C#N)cc3cn[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 136026133 | 63636 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 355 | 5 | 1 | 6 | 1.8 | C=CCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800784 | 63636 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 355 | 5 | 1 | 6 | 1.8 | C=CCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| 10859484 | 77687 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL20888 | 77687 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL544678 | 77687 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -2 | 2 | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| 71601930 | 86967 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | CC(=O)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | |||
| CHEMBL2322929 | 86967 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | CC(=O)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | |||
| 149362 | 75503 | None | 4 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -8 | 4 | ChEMBL | 427 | 7 | 5 | 10 | -0.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042298 | 75503 | None | 4 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -8 | 4 | ChEMBL | 427 | 7 | 5 | 10 | -0.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 60155716 | 76993 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 419 | 4 | 2 | 9 | 1.5 | C#CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2070884 | 76993 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 419 | 4 | 2 | 9 | 1.5 | C#CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 44570109 | 192088 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 365 | 3 | 1 | 5 | 4.2 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccn1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL520122 | 192088 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 365 | 3 | 1 | 5 | 4.2 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccn1 | 10.1016/j.bmc.2008.10.018 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 123807 | 871 | None | 35 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -1 | 7 | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | |||
| 374 | 871 | None | 35 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -1 | 7 | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | |||
| 379 | 871 | None | 35 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -1 | 7 | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL284969 | 871 | None | 35 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -1 | 7 | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | |||
| 23657266 | 88664 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 459 | 4 | 1 | 7 | 4.2 | COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1 | 10.1021/jm0708376 | |||
| CHEMBL235717 | 88664 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 459 | 4 | 1 | 7 | 4.2 | COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1 | 10.1021/jm0708376 | |||
| 57385043 | 75515 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -1 | 4 | ChEMBL | 810 | 18 | 6 | 13 | 6.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042310 | 75515 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | -1 | 4 | ChEMBL | 810 | 18 | 6 | 13 | 6.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 71602203 | 86953 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 433 | 4 | 0 | 6 | 4.6 | Cc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1 | 10.1021/jm400068e | |||
| CHEMBL2322909 | 86953 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 433 | 4 | 0 | 6 | 4.6 | Cc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1 | 10.1021/jm400068e | |||
| 60156003 | 77006 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 452 | 4 | 3 | 9 | 1.6 | CCNC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2071039 | 77006 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 452 | 4 | 3 | 9 | 1.6 | CCNC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 44436079 | 145604 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 521 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL391483 | 145604 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 521 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| 60154739 | 77016 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 177 | 2 | ChEMBL | 528 | 5 | 3 | 9 | 3.1 | Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| CHEMBL2071048 | 77016 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 177 | 2 | ChEMBL | 528 | 5 | 3 | 9 | 3.1 | Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| 11151115 | 69414 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 312 | 1 | 1 | 5 | 2.0 | O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 | 10.1021/jm0708376 | |||
| CHEMBL193141 | 69414 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 312 | 1 | 1 | 5 | 2.0 | O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 | 10.1021/jm0708376 | |||
| 136086901 | 63634 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 355 | 5 | 1 | 6 | 1.8 | C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800782 | 63634 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 355 | 5 | 1 | 6 | 1.8 | C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| 134138939 | 147495 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | 410 | 6 | 2 | 6 | 5.0 | COc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL3929812 | 147495 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | 410 | 6 | 2 | 6 | 5.0 | COc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 168271362 | 190668 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | 372 | 6 | 3 | 6 | 3.8 | Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc21 | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5180010 | 190668 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | 372 | 6 | 3 | 6 | 3.8 | Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc21 | 10.1021/acs.jmedchem.2c01123 | |||
| 10791347 | 165259 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm991114s | |||
| CHEMBL422820 | 165259 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm991114s | |||
| 57388054 | 75510 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -1 | 4 | ChEMBL | 607 | 12 | 5 | 10 | 3.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042305 | 75510 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -1 | 4 | ChEMBL | 607 | 12 | 5 | 10 | 3.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 60154835 | 77228 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 17 | 2 | ChEMBL | 507 | 3 | 2 | 10 | 1.2 | CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1 | 10.1021/jm300323t | |||
| CHEMBL2071051 | 77228 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 17 | 2 | ChEMBL | 507 | 3 | 2 | 10 | 1.2 | CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1 | 10.1021/jm300323t | |||
| CHEMBL2079181 | 77228 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 17 | 2 | ChEMBL | 507 | 3 | 2 | 10 | 1.2 | CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1 | 10.1021/jm300323t | |||
| 57384289 | 75508 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -18 | 4 | ChEMBL | 630 | 13 | 6 | 13 | 2.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042303 | 75508 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -18 | 4 | ChEMBL | 630 | 13 | 6 | 13 | 2.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 60155796 | 76994 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 16 | 2 | ChEMBL | 471 | 5 | 2 | 9 | 3.1 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070886 | 76994 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | 16 | 2 | ChEMBL | 471 | 5 | 2 | 9 | 3.1 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 24749597 | 88821 | None | 1 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 295 | 3 | 2 | 4 | 2.2 | COc1ccc(NC(=O)c2nc(=O)[nH]c3ccccc23)cc1 | 10.1021/jm070852a | |||
| CHEMBL236373 | 88821 | None | 1 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 295 | 3 | 2 | 4 | 2.2 | COc1ccc(NC(=O)c2nc(=O)[nH]c3ccccc23)cc1 | 10.1021/jm070852a | |||
| 71602066 | 86947 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 359 | 4 | 1 | 6 | 3.4 | COc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1 | 10.1021/jm400068e | |||
| CHEMBL2322903 | 86947 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 359 | 4 | 1 | 6 | 3.4 | COc1ccc(-n2cc3nc(C)nc(NC(=O)c4ccccc4)c3n2)cc1 | 10.1021/jm400068e | |||
| 127036423 | 137641 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 397 | 4 | 1 | 6 | 4.8 | O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1cccs1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3754500 | 137641 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 397 | 4 | 1 | 6 | 4.8 | O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1cccs1 | 10.1016/j.ejmech.2015.11.015 | |||
| 10791347 | 165259 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| CHEMBL422820 | 165259 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| 25230881 | 6179 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -8 | 4 | ChEMBL | 395 | 6 | 1 | 8 | 4.1 | CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| CHEMBL1081160 | 6179 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -8 | 4 | ChEMBL | 395 | 6 | 1 | 8 | 4.1 | CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| 52946211 | 17598 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -3981 | 2 | ChEMBL | 465 | 6 | 2 | 7 | 5.6 | COc1ccc(Nc2c(-c3ccc4nccnc4c3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 | 10.1016/j.bmcl.2010.07.095 | |||
| CHEMBL1258170 | 17598 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -3981 | 2 | ChEMBL | 465 | 6 | 2 | 7 | 5.6 | COc1ccc(Nc2c(-c3ccc4nccnc4c3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 | 10.1016/j.bmcl.2010.07.095 | |||
| 135511822 | 112738 | None | 6 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 251 | 1 | 1 | 5 | 2.8 | Oc1nc2ccccc2c2cc(-c3ccco3)nn12 | 10.1016/j.bmc.2012.10.031 | |||
| CHEMBL330394 | 112738 | None | 6 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 251 | 1 | 1 | 5 | 2.8 | Oc1nc2ccccc2c2cc(-c3ccco3)nn12 | 10.1016/j.bmc.2012.10.031 | |||
| 57384543 | 75513 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -3 | 4 | ChEMBL | 838 | 14 | 6 | 11 | 7.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042308 | 75513 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -3 | 4 | ChEMBL | 838 | 14 | 6 | 11 | 7.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 136025990 | 63633 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 341 | 4 | 1 | 6 | 1.4 | C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800781 | 63633 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 341 | 4 | 1 | 6 | 1.4 | C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| 136025881 | 63654 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 342 | 5 | 1 | 6 | 2.0 | C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(OC)no3)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800862 | 63654 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 342 | 5 | 1 | 6 | 2.0 | C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(OC)no3)nc21 | 10.1021/jm2004738 | |||
| 9910158 | 32458 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL141154 | 32458 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 24749707 | 90845 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 306 | 3 | 2 | 4 | 2.8 | CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1 | 10.1021/jm070852a | |||
| CHEMBL239193 | 90845 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 306 | 3 | 2 | 4 | 2.8 | CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1 | 10.1021/jm070852a | |||
| 57384544 | 75514 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 4 | ChEMBL | 854 | 14 | 7 | 12 | 7.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042309 | 75514 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -1 | 4 | ChEMBL | 854 | 14 | 7 | 12 | 7.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 57387824 | 75504 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -10 | 4 | ChEMBL | 442 | 7 | 6 | 11 | -0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042299 | 75504 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | -10 | 4 | ChEMBL | 442 | 7 | 6 | 11 | -0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 44570157 | 189978 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 399 | 3 | 1 | 5 | 4.9 | O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccncc1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL516851 | 189978 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 399 | 3 | 1 | 5 | 4.9 | O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccncc1 | 10.1016/j.bmc.2008.10.018 | |||
| 11569026 | 83137 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 471 | 5 | 2 | 6 | 5.2 | Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)c3nnn(Cc4ccccc4F)c3n2)cc1 | 10.1021/jm300087j | |||
| CHEMBL2181977 | 83137 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 471 | 5 | 2 | 6 | 5.2 | Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3)c3nnn(Cc4ccccc4F)c3n2)cc1 | 10.1021/jm300087j | |||
| 57388056 | 75512 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -4 | 4 | ChEMBL | 685 | 12 | 5 | 10 | 4.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042307 | 75512 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -4 | 4 | ChEMBL | 685 | 12 | 5 | 10 | 4.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 102213 | 207058 | None | 55 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 281 | 3 | 3 | 9 | -1.3 | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21 | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL73237 | 207058 | None | 55 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 281 | 3 | 3 | 9 | -1.3 | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21 | 10.1016/j.bmc.2007.05.056 | |||
| 60156108 | 77014 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 69 | 2 | ChEMBL | 532 | 5 | 3 | 9 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071046 | 77014 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 69 | 2 | ChEMBL | 532 | 5 | 3 | 9 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 9910158 | 32458 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| CHEMBL141154 | 32458 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 7.8 | 7.8 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 136068716 | 63638 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 391 | 4 | 1 | 6 | 2.4 | COc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 | 10.1021/jm2004738 | |||
| CHEMBL1800786 | 63638 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 391 | 4 | 1 | 6 | 2.4 | COc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 | 10.1021/jm2004738 | |||
| 44436076 | 88584 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 495 | 5 | 3 | 9 | 1.1 | OC[C@]12CO[C@H]([C@@H]1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL235317 | 88584 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 495 | 5 | 3 | 9 | 1.1 | OC[C@]12CO[C@H]([C@@H]1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| 139248515 | 166948 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 331 | 7 | 1 | 5 | 3.9 | CC[C@H](C)Oc1cc(NC(C)=O)nc(SCc2ccccc2)n1 | 10.1039/C7MD00375G | |||
| CHEMBL4285494 | 166948 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 331 | 7 | 1 | 5 | 3.9 | CC[C@H](C)Oc1cc(NC(C)=O)nc(SCc2ccccc2)n1 | 10.1039/C7MD00375G | |||
| 102143332 | 113125 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 421 | 6 | 4 | 10 | 0.7 | COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1OC[C@@](O)(CO)[C@H]1O | 10.1016/j.bmc.2014.05.036 | |||
| CHEMBL3311508 | 113125 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 421 | 6 | 4 | 10 | 0.7 | COc1ccc(Cl)cc1CNc1ncnc2c1ncn2[C@@H]1OC[C@@](O)(CO)[C@H]1O | 10.1016/j.bmc.2014.05.036 | |||
| 60155897 | 77002 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 472 | 5 | 2 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070894 | 77002 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 472 | 5 | 2 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 52937930 | 61291 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 386 | 4 | 2 | 5 | 4.0 | COc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 | 10.1021/jm101328n | |||
| CHEMBL1766354 | 61291 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 386 | 4 | 2 | 5 | 4.0 | COc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 | 10.1021/jm101328n | |||
| 136086903 | 63639 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 391 | 4 | 1 | 6 | 2.4 | COc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 | 10.1021/jm2004738 | |||
| CHEMBL1800787 | 63639 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 391 | 4 | 1 | 6 | 2.4 | COc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 | 10.1021/jm2004738 | |||
| 44436078 | 145332 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 305 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@H](n1cnc3c(N)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL391279 | 145332 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 305 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@H](n1cnc3c(N)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| 57387822 | 75517 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | 840 | 13 | 7 | 12 | 6.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042312 | 75517 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 1 | 3 | ChEMBL | 840 | 13 | 7 | 12 | 6.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 11233411 | 133692 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 350 | 5 | 0 | 6 | 2.6 | CCCn1c(=O)c2c(nc3n2CC(CC)=C3)n(Cc2ccccc2)c1=O | 10.1021/jm300087j | |||
| CHEMBL371404 | 133692 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 350 | 5 | 0 | 6 | 2.6 | CCCn1c(=O)c2c(nc3n2CC(CC)=C3)n(Cc2ccccc2)c1=O | 10.1021/jm300087j | |||
| 52937929 | 61290 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 386 | 4 | 2 | 5 | 4.0 | COc1cccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 | 10.1021/jm101328n | |||
| CHEMBL1766353 | 61290 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 386 | 4 | 2 | 5 | 4.0 | COc1cccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 | 10.1021/jm101328n | |||
| 60155896 | 77001 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 472 | 5 | 2 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4cccnc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070893 | 77001 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 472 | 5 | 2 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4cccnc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 71528098 | 175048 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 280 | 3 | 0 | 3 | 4.2 | CCOc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12 | 10.1021/acs.jmedchem.9b01572 | |||
| CHEMBL4565447 | 175048 | None | 0 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 280 | 3 | 0 | 3 | 4.2 | CCOc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12 | 10.1021/acs.jmedchem.9b01572 | |||
| 1047282 | 9935 | None | 10 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 416 | 6 | 1 | 6 | 3.6 | CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCN(C(=O)OCC)C2 | 10.1016/s0960-894x(99)00583-1 | |||
| CHEMBL114535 | 9935 | None | 10 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 416 | 6 | 1 | 6 | 3.6 | CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCN(C(=O)OCC)C2 | 10.1016/s0960-894x(99)00583-1 | |||
| 9904456 | 99202 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -30 | 2 | ChEMBL | 301 | 2 | 1 | 9 | 1.6 | CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL281129 | 99202 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -30 | 2 | ChEMBL | 301 | 2 | 1 | 9 | 1.6 | CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| 71601787 | 86962 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 359 | 4 | 1 | 6 | 3.4 | COc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL2322924 | 86962 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 359 | 4 | 1 | 6 | 3.4 | COc1ccc(C(=O)Nc2nc(C)nc3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.ejmech.2021.113907 | |||
| 71601786 | 86961 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | Cc1nc(NC(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1 | 10.1021/jm400068e | |||
| CHEMBL2322923 | 86961 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | Cc1nc(NC(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1 | 10.1021/jm400068e | |||
| 10505816 | 30362 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 508 | 8 | 2 | 9 | 5.0 | COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm991114s | |||
| CHEMBL139182 | 30362 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 508 | 8 | 2 | 9 | 5.0 | COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm991114s | |||
| 9803992 | 110487 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 454 | 4 | 3 | 10 | 2.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL324512 | 110487 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 454 | 4 | 3 | 10 | 2.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 137641603 | 158322 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -3 | 2 | ChEMBL | 447 | 5 | 3 | 10 | 2.0 | Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b01399 | |||
| CHEMBL4088238 | 158322 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -3 | 2 | ChEMBL | 447 | 5 | 3 | 10 | 2.0 | Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b01399 | |||
| 137651531 | 157562 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -3 | 2 | ChEMBL | 517 | 6 | 3 | 10 | 3.6 | Cc1cc(C)cc(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@@H](O)[C@H]4O)c3n2)c1 | 10.1021/acs.jmedchem.7b01399 | |||
| CHEMBL4079314 | 157562 | None | 0 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -3 | 2 | ChEMBL | 517 | 6 | 3 | 10 | 3.6 | Cc1cc(C)cc(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@@H](O)[C@H]4O)c3n2)c1 | 10.1021/acs.jmedchem.7b01399 | |||
| 9929470 | 110536 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL324735 | 110536 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 10296638 | 36779 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 434 | 4 | 2 | 7 | 4.8 | COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| CHEMBL144979 | 36779 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 434 | 4 | 2 | 7 | 4.8 | COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 3035850 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm0408161 | |||
| 3035850.0 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm0408161 | |||
| 457 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm0408161 | |||
| CHEMBL431733 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm0408161 | |||
| DB12885 | 951 | None | 50 | Human | Functional | pIC50 | = | 8.7 | 8.7 | -14 | 2 | ChEMBL | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | 10.1021/jm0408161 | |||
| 127026257 | 138329 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 19 | 3 | ChEMBL | 392 | 5 | 5 | 10 | -1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL3770310 | 138329 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 19 | 3 | ChEMBL | 392 | 5 | 5 | 10 | -1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| 46237929 | 8958 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 138 | 2 | ChEMBL | 359 | 4 | 1 | 6 | 3.3 | COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 | 10.1021/jm901785w | |||
| CHEMBL1098108 | 8958 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 138 | 2 | ChEMBL | 359 | 4 | 1 | 6 | 3.3 | COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 | 10.1021/jm901785w | |||
| 10431614 | 58148 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL167753 | 58148 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 10225178 | 32945 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 438 | 3 | 2 | 6 | 5.5 | O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | |||
| CHEMBL141550 | 32945 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 438 | 3 | 2 | 6 | 5.5 | O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | |||
| 45483966 | 201297 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 792 | 15 | 8 | 12 | 1.2 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)nc31)[C@H](O)[C@@H]2O | 10.1021/jm900426g | |||
| CHEMBL583747 | 201297 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 792 | 15 | 8 | 12 | 1.2 | CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@H]54)nc31)[C@H](O)[C@@H]2O | 10.1021/jm900426g | |||
| 24768449 | 155363 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 347 | 8 | 1 | 6 | 3.5 | CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1 | 10.1021/jm701159t | |||
| CHEMBL402848 | 155363 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 347 | 8 | 1 | 6 | 3.5 | CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1 | 10.1021/jm701159t | |||
| 9801343 | 112487 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| CHEMBL329791 | 112487 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| 168281982 | 191305 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | 516 | 10 | 3 | 8 | 4.8 | COc1cc(Nc2nc(CNCC3CCN(C)CC3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5189274 | 191305 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | 516 | 10 | 3 | 8 | 4.8 | COc1cc(Nc2nc(CNCC3CCN(C)CC3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 134141301 | 147145 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | 376 | 6 | 2 | 6 | 4.5 | COc1cc(Nc2nc(Cl)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL3927012 | 147145 | None | 0 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | 376 | 6 | 2 | 6 | 4.5 | COc1cc(Nc2nc(Cl)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 136068601 | 63640 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 405 | 5 | 1 | 6 | 2.8 | CCC1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OC)nn4C)[nH]c3C2=N1 | 10.1021/jm2004738 | |||
| CHEMBL1800788 | 63640 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 405 | 5 | 1 | 6 | 2.8 | CCC1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OC)nn4C)[nH]c3C2=N1 | 10.1021/jm2004738 | |||
| 136086904 | 63655 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 378 | 4 | 1 | 6 | 2.7 | COc1cc(-c2nc3c([nH]2)C2=NC(C)CN2C(=O)N3Cc2ccccc2)on1 | 10.1021/jm2004738 | |||
| CHEMBL1800863 | 63655 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 378 | 4 | 1 | 6 | 2.7 | COc1cc(-c2nc3c([nH]2)C2=NC(C)CN2C(=O)N3Cc2ccccc2)on1 | 10.1021/jm2004738 | |||
| CHEMBL5075422 | 216860 | None | 4 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -354 | 4 | ChEMBL | None | None | None | Cn1cc(-c2cnc(N)n3nc(-c4ccco4)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00599 | |||||
| 25212375 | 190565 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 354 | 3 | 1 | 5 | 4.4 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccco1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL517867 | 190565 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 354 | 3 | 1 | 5 | 4.4 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccco1 | 10.1016/j.bmc.2008.10.018 | |||
| 60155715 | 76992 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 421 | 5 | 2 | 9 | 2.0 | C=CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2070883 | 76992 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 421 | 5 | 2 | 9 | 2.0 | C=CCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 11511703 | 170697 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 501 | 6 | 1 | 7 | 4.8 | COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm060373w | |||
| CHEMBL445067 | 170697 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 501 | 6 | 1 | 7 | 4.8 | COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm060373w | |||
| 25207803 | 5687 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 4 | ChEMBL | 381 | 6 | 2 | 8 | 4.0 | CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| CHEMBL1077943 | 5687 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 4 | ChEMBL | 381 | 6 | 2 | 8 | 4.0 | CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| 123683 | 3121 | None | 46 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 422 | 3121 | None | 46 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL119709 | 3121 | None | 46 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| DB05511 | 3121 | None | 46 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 67 | 5 | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/acs.jmedchem.9b01164 | |||
| 118733025 | 118602 | None | 1 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 243 | 1 | 1 | 4 | 2.4 | Cc1nc2sc(-c3ccccc3)nc2c(=O)[nH]1 | 10.1016/j.ejmech.2015.04.010 | |||
| CHEMBL3415022 | 118602 | None | 1 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 243 | 1 | 1 | 4 | 2.4 | Cc1nc2sc(-c3ccccc3)nc2c(=O)[nH]1 | 10.1016/j.ejmech.2015.04.010 | |||
| 57387337 | 75502 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -63 | 4 | ChEMBL | 326 | 3 | 4 | 9 | -1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042297 | 75502 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -63 | 4 | ChEMBL | 326 | 3 | 4 | 9 | -1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 60156106 | 76831 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 75 | 2 | ChEMBL | 528 | 6 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2069325 | 76831 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 75 | 2 | ChEMBL | 528 | 6 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 136019511 | 63635 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 355 | 5 | 1 | 6 | 1.8 | C=CCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800783 | 63635 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 355 | 5 | 1 | 6 | 1.8 | C=CCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 | 10.1021/jm2004738 | |||
| 25230949 | 6007 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -15 | 4 | ChEMBL | 367 | 5 | 2 | 8 | 3.6 | Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| CHEMBL1080241 | 6007 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -15 | 4 | ChEMBL | 367 | 5 | 2 | 8 | 3.6 | Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| 24749598 | 98975 | None | 1 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 265 | 2 | 2 | 3 | 2.2 | O=C(Nc1ccccc1)c1nc(=O)[nH]c2ccccc12 | 10.1021/jm070852a | |||
| CHEMBL279403 | 98975 | None | 1 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 265 | 2 | 2 | 3 | 2.2 | O=C(Nc1ccccc1)c1nc(=O)[nH]c2ccccc12 | 10.1021/jm070852a | |||
| 136026027 | 63653 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 328 | 4 | 1 | 6 | 1.7 | C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(OC)no3)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800861 | 63653 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 328 | 4 | 1 | 6 | 1.7 | C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(OC)no3)nc21 | 10.1021/jm2004738 | |||
| 136068719 | 63656 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 392 | 5 | 1 | 6 | 3.1 | CCC1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OC)no4)[nH]c3C2=N1 | 10.1021/jm2004738 | |||
| CHEMBL1800864 | 63656 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 392 | 5 | 1 | 6 | 3.1 | CCC1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(OC)no4)[nH]c3C2=N1 | 10.1021/jm2004738 | |||
| 57400353 | 69820 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | 3 | 2 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | |||
| CHEMBL1935765 | 69820 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | 3 | 2 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | |||
| 2910343 | 33133 | None | 15 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 282 | 3 | 0 | 4 | 3.5 | COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 | 10.1021/acs.jmedchem.9b01572 | |||
| CHEMBL1417172 | 33133 | None | 15 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 282 | 3 | 0 | 4 | 3.5 | COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 | 10.1021/acs.jmedchem.9b01572 | |||
| 2848828 | 9947 | None | 9 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 398 | 6 | 1 | 8 | 4.1 | COc1ccc(-c2csc(NC3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 | 10.1016/s0960-894x(99)00583-1 | |||
| CHEMBL114643 | 9947 | None | 9 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 398 | 6 | 1 | 8 | 4.1 | COc1ccc(-c2csc(NC3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 | 10.1016/s0960-894x(99)00583-1 | |||
| 57387825 | 75505 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -6 | 4 | ChEMBL | 505 | 7 | 5 | 10 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042300 | 75505 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -6 | 4 | ChEMBL | 505 | 7 | 5 | 10 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 127037422 | 137335 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 421 | 5 | 1 | 6 | 4.7 | COc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3751909 | 137335 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 421 | 5 | 1 | 6 | 4.7 | COc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 60156104 | 77011 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 520 | 4 | 3 | 9 | 3.3 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071043 | 77011 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 520 | 4 | 3 | 9 | 3.3 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 44570198 | 178524 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 378 | 3 | 1 | 4 | 5.1 | Cc1cccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)c1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL465946 | 178524 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 378 | 3 | 1 | 4 | 5.1 | Cc1cccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)c1 | 10.1016/j.bmc.2008.10.018 | |||
| 9955052 | 119947 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 442 | 3 | 2 | 8 | 4.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL349019 | 119947 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 442 | 3 | 2 | 8 | 4.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 60155712 | 76989 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | 9 | 2 | ChEMBL | 381 | 3 | 3 | 9 | 1.1 | Cn1cc2c(nc(NC(=O)NC3CCNCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070880 | 76989 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | 9 | 2 | ChEMBL | 381 | 3 | 3 | 9 | 1.1 | Cn1cc2c(nc(NC(=O)NC3CCNCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 135516677 | 4475 | None | 8 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 267 | 1 | 1 | 5 | 3.3 | Oc1nc2ccccc2c2cc(-c3cccs3)nn12 | 10.1016/j.bmc.2012.10.031 | |||
| CHEMBL101818 | 4475 | None | 8 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 267 | 1 | 1 | 5 | 3.3 | Oc1nc2ccccc2c2cc(-c3cccs3)nn12 | 10.1016/j.bmc.2012.10.031 | |||
| 127025959 | 138366 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -50 | 3 | ChEMBL | 482 | 8 | 4 | 10 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL3770679 | 138366 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | -50 | 3 | ChEMBL | 482 | 8 | 4 | 10 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| 44343895 | 10534 | None | 1 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 351 | 4 | 5 | 10 | -1.2 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL116903 | 10534 | None | 1 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 351 | 4 | 5 | 10 | -1.2 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4O)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| 136086902 | 63637 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 391 | 4 | 1 | 6 | 2.4 | COc1cc(-c2nc3c([nH]2)C2=NC(C)CN2C(=O)N3Cc2ccccc2)n(C)n1 | 10.1021/jm2004738 | |||
| CHEMBL1800785 | 63637 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 391 | 4 | 1 | 6 | 2.4 | COc1cc(-c2nc3c([nH]2)C2=NC(C)CN2C(=O)N3Cc2ccccc2)n(C)n1 | 10.1021/jm2004738 | |||
| 135409562 | 2184 | None | 8 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 373 | 3 | 1 | 3 | 3.3 | CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br | 10.1021/jm300087j | |||
| 5618 | 2184 | None | 8 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 373 | 3 | 1 | 3 | 3.3 | CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br | 10.1021/jm300087j | |||
| CHEMBL2181965 | 2184 | None | 8 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 373 | 3 | 1 | 3 | 3.3 | CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br | 10.1021/jm300087j | |||
| 52937928 | 61289 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 386 | 4 | 2 | 5 | 4.0 | COc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 | 10.1021/jm101328n | |||
| CHEMBL1766352 | 61289 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 386 | 4 | 2 | 5 | 4.0 | COc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 | 10.1021/jm101328n | |||
| 11627221 | 79632 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 485 | 4 | 0 | 7 | 4.5 | O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1021/jm060373w | |||
| CHEMBL211449 | 79632 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 485 | 4 | 0 | 7 | 4.5 | O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1021/jm060373w | |||
| 60156105 | 77012 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 38 | 2 | ChEMBL | 514 | 5 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071044 | 77012 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 38 | 2 | ChEMBL | 514 | 5 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 44579714 | 187091 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 497 | 4 | 3 | 7 | 2.6 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 | 10.1016/j.bmc.2008.08.007 | |||
| CHEMBL490605 | 187091 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 497 | 4 | 3 | 7 | 2.6 | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 | 10.1016/j.bmc.2008.08.007 | |||
| 54580623 | 62165 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 296 | 4 | 0 | 4 | 3.9 | CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12 | 10.1021/acs.jmedchem.9b01572 | |||
| CHEMBL1777844 | 62165 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 296 | 4 | 0 | 4 | 3.9 | CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12 | 10.1021/acs.jmedchem.9b01572 | |||
| 10453097 | 200349 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 392 | 3 | 2 | 8 | 3.1 | Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL572765 | 200349 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 392 | 3 | 2 | 8 | 3.1 | Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 168291120 | 192131 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 2 | 2 | ChEMBL | 358 | 6 | 4 | 5 | 3.8 | O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12 | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5201810 | 192131 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | 2 | 2 | ChEMBL | 358 | 6 | 4 | 5 | 3.8 | O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12 | 10.1021/acs.jmedchem.2c01123 | |||
| 23657265 | 88619 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 445 | 4 | 1 | 7 | 3.9 | COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccccc4)nn23)cc1 | 10.1021/jm0708376 | |||
| CHEMBL235513 | 88619 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 445 | 4 | 1 | 7 | 3.9 | COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3n3c(=O)c(-c4ccccc4)nn23)cc1 | 10.1021/jm0708376 | |||
| 10884265 | 57426 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 418 | 3 | 2 | 10 | 2.6 | Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL165224 | 57426 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 418 | 3 | 2 | 10 | 2.6 | Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.9b01164 | |||
| 168276434 | 190227 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 2 | ChEMBL | 367 | 6 | 2 | 7 | 3.7 | COc1cc(Nc2nc(C#N)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5173159 | 190227 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 2 | ChEMBL | 367 | 6 | 2 | 7 | 3.7 | COc1cc(Nc2nc(C#N)cc3c(C(C)C)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 60156005 | 77009 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 492 | 4 | 3 | 9 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071041 | 77009 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 492 | 4 | 3 | 9 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 60154837 | 77201 | None | 6 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 477 | 5 | 2 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(CC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070885 | 77201 | None | 6 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 477 | 5 | 2 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(CC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2078778 | 77201 | None | 6 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 477 | 5 | 2 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(CC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 136086898 | 63611 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 339 | 4 | 1 | 5 | 2.1 | C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800736 | 63611 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 339 | 4 | 1 | 5 | 2.1 | C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| 60155714 | 76991 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 423 | 5 | 2 | 9 | 2.3 | CCCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2070882 | 76991 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 423 | 5 | 2 | 9 | 2.3 | CCCN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 25230952 | 146640 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -4 | 4 | ChEMBL | 458 | 8 | 2 | 9 | 5.0 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12 | nan | |||
| CHEMBL3922797 | 146640 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | -4 | 4 | ChEMBL | 458 | 8 | 2 | 9 | 5.0 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12 | nan | |||
| 11533636 | 79945 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 515 | 5 | 0 | 8 | 4.5 | COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm060373w | |||
| CHEMBL212458 | 79945 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 515 | 5 | 0 | 8 | 4.5 | COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm060373w | |||
| 155544177 | 173442 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 316 | 1 | 1 | 3 | 3.9 | O=c1oc2c(O)cccc2cc1-c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL4526845 | 173442 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 316 | 1 | 1 | 3 | 3.9 | O=c1oc2c(O)cccc2cc1-c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113907 | |||
| 155544177 | 173442 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 316 | 1 | 1 | 3 | 3.9 | O=c1oc2c(O)cccc2cc1-c1ccc(Br)cc1 | 10.1021/acs.jmedchem.9b01572 | |||
| CHEMBL4526845 | 173442 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 316 | 1 | 1 | 3 | 3.9 | O=c1oc2c(O)cccc2cc1-c1ccc(Br)cc1 | 10.1021/acs.jmedchem.9b01572 | |||
| 135741974 | 86307 | None | 8 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 291 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1 | 10.1016/j.bmc.2012.10.031 | |||
| CHEMBL2312719 | 86307 | None | 8 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 291 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2cc3c4ccccc4[nH]c(=O)n3n2)cc1 | 10.1016/j.bmc.2012.10.031 | |||
| 57388055 | 75511 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -5 | 4 | ChEMBL | 622 | 12 | 6 | 11 | 3.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042306 | 75511 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -5 | 4 | ChEMBL | 622 | 12 | 6 | 11 | 3.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 135508372 | 67271 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 275 | 1 | 1 | 4 | 3.6 | Cc1ccc(-n2cc3c(O)nc4ccccc4c3n2)cc1 | 10.1021/jm300087j | |||
| CHEMBL188035 | 67271 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 275 | 1 | 1 | 4 | 3.6 | Cc1ccc(-n2cc3c(O)nc4ccccc4c3n2)cc1 | 10.1021/jm300087j | |||
| 60156004 | 77008 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 466 | 4 | 3 | 9 | 2.0 | CC(C)NC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2071040 | 77008 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 466 | 4 | 3 | 9 | 2.0 | CC(C)NC(=O)N1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 60154740 | 77017 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 95 | 2 | ChEMBL | 544 | 6 | 3 | 10 | 2.8 | COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| CHEMBL2071049 | 77017 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 95 | 2 | ChEMBL | 544 | 6 | 3 | 10 | 2.8 | COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| 136086896 | 63608 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 325 | 3 | 1 | 5 | 1.7 | C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800733 | 63608 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 325 | 3 | 1 | 5 | 1.7 | C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| 136025838 | 63609 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 325 | 3 | 1 | 5 | 1.7 | C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800734 | 63609 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 325 | 3 | 1 | 5 | 1.7 | C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| 25230951 | 150387 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -9 | 4 | ChEMBL | 380 | 6 | 1 | 7 | 4.6 | CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| CHEMBL3952824 | 150387 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -9 | 4 | ChEMBL | 380 | 6 | 1 | 7 | 4.6 | CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| 127034991 | 137520 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 398 | 4 | 1 | 7 | 4.2 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccncc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3753507 | 137520 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 398 | 4 | 1 | 7 | 4.2 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccncc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 25230948 | 6037 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 4 | ChEMBL | 395 | 7 | 2 | 8 | 4.4 | CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| CHEMBL1080421 | 6037 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 4 | ChEMBL | 395 | 7 | 2 | 8 | 4.4 | CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| 127036925 | 137389 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 422 | 5 | 1 | 7 | 4.1 | COc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3752438 | 137389 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 422 | 5 | 1 | 7 | 4.1 | COc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 135401232 | 3206 | None | 4 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1021/jm2004738 | |||
| 5619 | 3206 | None | 4 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1021/jm2004738 | |||
| CHEMBL1562432 | 3206 | None | 4 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1021/jm2004738 | |||
| 10623248 | 112703 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL330286 | 112703 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 11144868 | 119936 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 452 | 3 | 2 | 8 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL348925 | 119936 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 452 | 3 | 2 | 8 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 168278037 | 190318 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -3 | 2 | ChEMBL | 364 | 4 | 3 | 5 | 4.4 | Cn1nc(NC(=O)Nc2ccccc2)c2ccnc(NC3CCCCC3)c21 | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5174600 | 190318 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -3 | 2 | ChEMBL | 364 | 4 | 3 | 5 | 4.4 | Cn1nc(NC(=O)Nc2ccccc2)c2ccnc(NC3CCCCC3)c21 | 10.1021/acs.jmedchem.2c01123 | |||
| 127037423 | 137527 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 451 | 6 | 1 | 7 | 4.8 | COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)nc3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3753544 | 137527 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 451 | 6 | 1 | 7 | 4.8 | COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)nc3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 127037424 | 137577 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 481 | 5 | 0 | 9 | 5.2 | O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3753976 | 137577 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 481 | 5 | 0 | 9 | 5.2 | O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | |||
| 10647227 | 165549 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL423934 | 165549 | None | 0 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 459 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm991114s | |||
| 477 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm991114s | |||
| 5310960 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm991114s | |||
| CHEMBL302765 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm991114s | |||
| 10905184 | 120204 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 388 | 3 | 2 | 8 | 3.2 | Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | |||
| CHEMBL351285 | 120204 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 388 | 3 | 2 | 8 | 3.2 | Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | |||
| 9953799 | 205832 | None | 2 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL65271 | 205832 | None | 2 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 9822747 | 119445 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL344501 | 119445 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 168286347 | 191801 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 4 | 2 | ChEMBL | 405 | 7 | 3 | 7 | 3.9 | COc1cc(Nc2nc(CN)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5196781 | 191801 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | 4 | 2 | ChEMBL | 405 | 7 | 3 | 7 | 3.9 | COc1cc(Nc2nc(CN)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 60155894 | 76999 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 496 | 5 | 2 | 10 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070891 | 76999 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 496 | 5 | 2 | 10 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 10779327 | 119473 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| CHEMBL344706 | 119473 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| 136086897 | 63610 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 325 | 3 | 1 | 5 | 1.7 | C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| CHEMBL1800735 | 63610 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 325 | 3 | 1 | 5 | 1.7 | C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 | 10.1021/jm2004738 | |||
| 2690 | 903 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -123 | 5 | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm001047y | |||
| 384 | 903 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -123 | 5 | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm001047y | |||
| CHEMBL16687 | 903 | None | 44 | Human | Functional | pIC50 | = | 6.4 | 6.4 | -123 | 5 | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm001047y | |||
| 2861880 | 111208 | None | 13 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 466 | 8 | 2 | 4 | 4.9 | CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1 | 10.1016/s0960-894x(99)00583-1 | |||
| CHEMBL326389 | 111208 | None | 13 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 466 | 8 | 2 | 4 | 4.9 | CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1 | 10.1016/s0960-894x(99)00583-1 | |||
| 60156002 | 77005 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 467 | 6 | 2 | 11 | 1.4 | CCOC(=O)CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2071038 | 77005 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 467 | 6 | 2 | 11 | 1.4 | CCOC(=O)CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 25212376 | 174298 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 365 | 3 | 1 | 5 | 4.2 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccncc1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL454780 | 174298 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 365 | 3 | 1 | 5 | 4.2 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccncc1 | 10.1016/j.bmc.2008.10.018 | |||
| 137658761 | 159275 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -74 | 3 | ChEMBL | 413 | 4 | 3 | 8 | 2.2 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)ncnc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | |||
| CHEMBL4098408 | 159275 | None | 0 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -74 | 3 | ChEMBL | 413 | 4 | 3 | 8 | 2.2 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)ncnc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | |||
| 118733028 | 118605 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 277 | 1 | 1 | 4 | 3.0 | Cc1nc2sc(-c3ccc(Cl)cc3)nc2c(=O)[nH]1 | 10.1016/j.ejmech.2015.04.010 | |||
| CHEMBL3415025 | 118605 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 277 | 1 | 1 | 4 | 3.0 | Cc1nc2sc(-c3ccc(Cl)cc3)nc2c(=O)[nH]1 | 10.1016/j.ejmech.2015.04.010 | |||
| 60155895 | 77000 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 516 | 6 | 2 | 11 | 3.0 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070892 | 77000 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 516 | 6 | 2 | 11 | 3.0 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 46877289 | 204910 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 560 | 9 | 5 | 11 | 0.0 | C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1 | 10.1021/jm0408161 | |||
| CHEMBL611095 | 204910 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 560 | 9 | 5 | 11 | 0.0 | C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1 | 10.1021/jm0408161 | |||
| 139248514 | 167158 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 331 | 7 | 1 | 5 | 4.1 | CCCOc1cc(NC(C)=O)nc(S[C@@H](C)c2ccccc2)n1 | 10.1039/C7MD00375G | |||
| CHEMBL4289256 | 167158 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 331 | 7 | 1 | 5 | 4.1 | CCCOc1cc(NC(C)=O)nc(S[C@@H](C)c2ccccc2)n1 | 10.1039/C7MD00375G | |||
| 60156006 | 77010 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 506 | 4 | 3 | 9 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071042 | 77010 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 506 | 4 | 3 | 9 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 10961304 | 76039 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL20555 | 76039 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL554955 | 76039 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | 1 | 2 | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| 60155893 | 76998 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 501 | 6 | 2 | 10 | 3.1 | COc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| CHEMBL2070890 | 76998 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 501 | 6 | 2 | 10 | 3.1 | COc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| 60156107 | 77013 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 33 | 2 | ChEMBL | 542 | 7 | 3 | 9 | 3.2 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071045 | 77013 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 33 | 2 | ChEMBL | 542 | 7 | 3 | 9 | 3.2 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 10917575 | 81175 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -21 | 2 | ChEMBL | 463 | 5 | 1 | 11 | 2.9 | CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL21572 | 81175 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -21 | 2 | ChEMBL | 463 | 5 | 1 | 11 | 2.9 | CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| 44562753 | 190010 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 368 | 3 | 1 | 5 | 4.7 | Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)o1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL516966 | 190010 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 368 | 3 | 1 | 5 | 4.7 | Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)o1 | 10.1016/j.bmc.2008.10.018 | |||
| 9869857 | 66851 | None | 12 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 5 | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm300087j | |||
| CHEMBL186113 | 66851 | None | 12 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 5 | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm300087j | |||
| 11209919 | 168474 | None | 1 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 337 | 4 | 1 | 6 | 1.9 | CCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccccc2)c1=O | 10.1021/jm300087j | |||
| CHEMBL434534 | 168474 | None | 1 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 337 | 4 | 1 | 6 | 1.9 | CCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccccc2)c1=O | 10.1021/jm300087j | |||
| 10765059 | 102750 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 430 | 6 | 2 | 9 | 3.6 | C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL304726 | 102750 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 430 | 6 | 2 | 9 | 3.6 | C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 134140759 | 147412 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -2 | 2 | ChEMBL | 376 | 6 | 2 | 6 | 4.4 | COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL3929143 | 147412 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -2 | 2 | ChEMBL | 376 | 6 | 2 | 6 | 4.4 | COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 459 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | |||
| 477 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | |||
| 5310960 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | |||
| CHEMBL302765 | 2618 | None | 29 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | |||
| 135515507 | 34133 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 394 | 3 | 3 | 7 | 3.6 | O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | |||
| CHEMBL142562 | 34133 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 394 | 3 | 3 | 7 | 3.6 | O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | |||
| 9910926 | 29339 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| CHEMBL138332 | 29339 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| 127036424 | 137427 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 397 | 4 | 1 | 6 | 4.8 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3752840 | 137427 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 397 | 4 | 1 | 6 | 4.8 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.ejmech.2015.11.015 | |||
| 127036562 | 137343 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 387 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccco1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3751978 | 137343 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 387 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccco1 | 10.1016/j.ejmech.2015.11.015 | |||
| 11133545 | 120534 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 419 | 4 | 2 | 10 | 2.8 | Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL354161 | 120534 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 419 | 4 | 2 | 10 | 2.8 | Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 9910926 | 29339 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| CHEMBL138332 | 29339 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | |||
| 127036563 | 137430 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 403 | 4 | 1 | 7 | 4.9 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3752862 | 137430 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 403 | 4 | 1 | 7 | 4.9 | O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1 | 10.1016/j.ejmech.2015.11.015 | |||
| 11058550 | 120195 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm0109614 | |||
| CHEMBL351211 | 120195 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm0109614 | |||
| 46238067 | 8508 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 229 | 2 | ChEMBL | 420 | 5 | 2 | 5 | 5.2 | O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12 | 10.1021/jm901785w | |||
| CHEMBL1094132 | 8508 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 229 | 2 | ChEMBL | 420 | 5 | 2 | 5 | 5.2 | O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12 | 10.1021/jm901785w | |||
| 60155799 | 76997 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 485 | 5 | 2 | 9 | 3.4 | Cc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| CHEMBL2070889 | 76997 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 485 | 5 | 2 | 9 | 3.4 | Cc1ccc(CN2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | |||
| 57395120 | 69802 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 18 | 2 | ChEMBL | 431 | 6 | 2 | 8 | 4.4 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | |||
| CHEMBL1935748 | 69802 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 18 | 2 | ChEMBL | 431 | 6 | 2 | 8 | 4.4 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | |||
| 46877285 | 204908 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 562 | 9 | 5 | 11 | 0.3 | CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm0408161 | |||
| CHEMBL611091 | 204908 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 562 | 9 | 5 | 11 | 0.3 | CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm0408161 | |||
| 57400352 | 69808 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -12 | 2 | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | |||
| CHEMBL1935753 | 69808 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | -12 | 2 | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | |||
| 46238064 | 8512 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 5 | 2 | ChEMBL | 405 | 5 | 1 | 5 | 4.8 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1 | 10.1021/jm901785w | |||
| CHEMBL1094143 | 8512 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | 5 | 2 | ChEMBL | 405 | 5 | 1 | 5 | 4.8 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1 | 10.1021/jm901785w | |||
| 44570242 | 190840 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 378 | 3 | 1 | 4 | 5.1 | Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL518258 | 190840 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 378 | 3 | 1 | 4 | 5.1 | Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1 | 10.1016/j.bmc.2008.10.018 | |||
| 46876751 | 204538 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 562 | 8 | 5 | 11 | 0.3 | CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm0408161 | |||
| CHEMBL608755 | 204538 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 562 | 8 | 5 | 11 | 0.3 | CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(C)C(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm0408161 | |||
| 11014188 | 118547 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL341376 | 118547 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 9953799 | 205832 | None | 2 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| CHEMBL65271 | 205832 | None | 2 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm991114s | |||
| 10993916 | 57172 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 442 | 3 | 2 | 8 | 3.9 | Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL164686 | 57172 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 442 | 3 | 2 | 8 | 3.9 | Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 168280255 | 191081 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -1 | 2 | ChEMBL | 343 | 4 | 2 | 5 | 4.0 | Cn1nc(NC(=O)c2ccccc2)c2cc(Nc3ccccc3)ncc21 | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5186062 | 191081 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -1 | 2 | ChEMBL | 343 | 4 | 2 | 5 | 4.0 | Cn1nc(NC(=O)c2ccccc2)c2cc(Nc3ccccc3)ncc21 | 10.1021/acs.jmedchem.2c01123 | |||
| 9824812 | 121206 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 446 | 4 | 2 | 9 | 4.1 | COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| CHEMBL357663 | 121206 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 446 | 4 | 2 | 9 | 4.1 | COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | |||
| 168272324 | 190685 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 311 | 3 | 2 | 4 | 4.2 | N#Cc1cc2c(-c3ccccc3)n[nH]c2c(Nc2ccccc2)n1 | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5180268 | 190685 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 311 | 3 | 2 | 4 | 4.2 | N#Cc1cc2c(-c3ccccc3)n[nH]c2c(Nc2ccccc2)n1 | 10.1021/acs.jmedchem.2c01123 | |||
| 57384287 | 75506 | None | 0 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -1348 | 4 | ChEMBL | 658 | 9 | 6 | 11 | 3.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042301 | 75506 | None | 0 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -1348 | 4 | ChEMBL | 658 | 9 | 6 | 11 | 3.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 71601933 | 86942 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 405 | 5 | 1 | 5 | 4.7 | O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | |||
| CHEMBL2322898 | 86942 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 405 | 5 | 1 | 5 | 4.7 | O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | |||
| 71602201 | 86951 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 421 | 5 | 1 | 6 | 4.7 | COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)c4ccccc4)c3n2)cc1 | 10.1021/jm400068e | |||
| CHEMBL2322907 | 86951 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 421 | 5 | 1 | 6 | 4.7 | COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)c4ccccc4)c3n2)cc1 | 10.1021/jm400068e | |||
| 46877325 | 204912 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 586 | 11 | 5 | 11 | 0.6 | C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1 | 10.1021/jm0408161 | |||
| CHEMBL611104 | 204912 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 586 | 11 | 5 | 11 | 0.6 | C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1 | 10.1021/jm0408161 | |||
| 71601931 | 86968 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 391 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccccc1 | 10.1021/jm400068e | |||
| CHEMBL2322930 | 86968 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 391 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccccc1 | 10.1021/jm400068e | |||
| 377 | 2758 | None | 42 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031092g | |||
| 425 | 2758 | None | 42 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031092g | |||
| 448222 | 2758 | None | 42 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031092g | |||
| CHEMBL464859 | 2758 | None | 42 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -3 | 10 | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031092g | |||
| 10438449 | 206966 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 3 | 2 | ChEMBL | 593 | 10 | 3 | 14 | 2.3 | CO/C(=C\c1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2c[nH]cn2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc21 | 10.1021/jm031092g | |||
| CHEMBL72613 | 206966 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 3 | 2 | ChEMBL | 593 | 10 | 3 | 14 | 2.3 | CO/C(=C\c1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2c[nH]cn2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc21 | 10.1021/jm031092g | |||
| 57387596 | 75516 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 4 | ChEMBL | 492 | 7 | 4 | 9 | 1.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042311 | 75516 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 4 | ChEMBL | 492 | 7 | 4 | 9 | 1.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 393595 | 2637 | None | 36 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/jm300087j | |||
| 448 | 2637 | None | 36 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/jm300087j | |||
| CHEMBL88147 | 2637 | None | 36 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/jm300087j | |||
| 168278837 | 191005 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 2 | ChEMBL | 495 | 10 | 3 | 7 | 5.7 | COc1cc(Nc2nc(CNCc3ccccc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5185003 | 191005 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 2 | ChEMBL | 495 | 10 | 3 | 7 | 5.7 | COc1cc(Nc2nc(CNCc3ccccc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 46238066 | 8507 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 173 | 2 | ChEMBL | 439 | 5 | 1 | 5 | 5.4 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1 | 10.1021/jm901785w | |||
| CHEMBL1094131 | 8507 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 173 | 2 | ChEMBL | 439 | 5 | 1 | 5 | 5.4 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1 | 10.1021/jm901785w | |||
| 11811544 | 57221 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1 | 10.1021/jm0109614 | |||
| CHEMBL164992 | 57221 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1 | 10.1021/jm0109614 | |||
| 10761731 | 102953 | None | 2 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 371 | 4 | 2 | 5 | 4.3 | COc1ccccc1NC(=O)Nc1nc(-c2ccccn2)nc2ccccc12 | 10.1021/jm300087j | |||
| CHEMBL305975 | 102953 | None | 2 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 371 | 4 | 2 | 5 | 4.3 | COc1ccccc1NC(=O)Nc1nc(-c2ccccn2)nc2ccccc12 | 10.1021/jm300087j | |||
| 139248513 | 166779 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 331 | 7 | 1 | 5 | 4.1 | CCCSc1nc(NC(C)=O)cc(O[C@@H](C)c2ccccc2)n1 | 10.1039/C7MD00375G | |||
| CHEMBL4282074 | 166779 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 331 | 7 | 1 | 5 | 4.1 | CCCSc1nc(NC(C)=O)cc(O[C@@H](C)c2ccccc2)n1 | 10.1039/C7MD00375G | |||
| 137652383 | 157487 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 7 | 2 | ChEMBL | 507 | 5 | 3 | 10 | 3.1 | Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b01399 | |||
| CHEMBL4078360 | 157487 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | 7 | 2 | ChEMBL | 507 | 5 | 3 | 10 | 3.1 | Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b01399 | |||
| 439176 | 98674 | None | 50 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -22 | 2 | ChEMBL | 297 | 3 | 3 | 9 | -0.6 | CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm031092g | |||
| CHEMBL277041 | 98674 | None | 50 | Human | Functional | pIC50 | = | 4.2 | 4.2 | -22 | 2 | ChEMBL | 297 | 3 | 3 | 9 | -0.6 | CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm031092g | |||
| 25230950 | 152834 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -14 | 4 | ChEMBL | 378 | 6 | 1 | 7 | 4.6 | C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| CHEMBL3973260 | 152834 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -14 | 4 | ChEMBL | 378 | 6 | 1 | 7 | 4.6 | C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | |||
| 56950235 | 69801 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 10 | 2 | ChEMBL | 403 | 4 | 2 | 8 | 3.5 | COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | |||
| CHEMBL1935747 | 69801 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 10 | 2 | ChEMBL | 403 | 4 | 2 | 8 | 3.5 | COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | |||
| 167312186 | 190781 | None | 3 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 2 | 2 | ChEMBL | 401 | 6 | 2 | 7 | 4.3 | COc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5181728 | 190781 | None | 3 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 2 | 2 | ChEMBL | 401 | 6 | 2 | 7 | 4.3 | COc1cc(Nc2nc(C#N)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 57384288 | 75507 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -53 | 4 | ChEMBL | 674 | 9 | 7 | 12 | 3.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042302 | 75507 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -53 | 4 | ChEMBL | 674 | 9 | 7 | 12 | 3.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 44570110 | 191762 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 365 | 3 | 1 | 5 | 4.2 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccnc1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL519614 | 191762 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 365 | 3 | 1 | 5 | 4.2 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccnc1 | 10.1016/j.bmc.2008.10.018 | |||
| 127026252 | 138273 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 24 | 2 | ChEMBL | 458 | 5 | 5 | 10 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC45CC6CC(CC(O)(C6)C4)C5)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| CHEMBL3769641 | 138273 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 24 | 2 | ChEMBL | 458 | 5 | 5 | 10 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC45CC6CC(CC(O)(C6)C4)C5)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b01402 | |||
| 57387594 | 75509 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -9 | 4 | ChEMBL | 506 | 8 | 4 | 9 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| CHEMBL2042304 | 75509 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -9 | 4 | ChEMBL | 506 | 8 | 4 | 9 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | |||
| 23653582 | 88624 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 494 | 5 | 4 | 9 | 0.6 | OC[C@]12CN[C@H]([C@@H]1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| CHEMBL235543 | 88624 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 494 | 5 | 4 | 9 | 0.6 | OC[C@]12CN[C@H]([C@@H]1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2 | 10.1016/j.bmc.2007.05.056 | |||
| 46238068 | 8737 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 181 | 2 | ChEMBL | 450 | 6 | 2 | 6 | 5.2 | COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1 | 10.1021/jm901785w | |||
| CHEMBL1096078 | 8737 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 181 | 2 | ChEMBL | 450 | 6 | 2 | 6 | 5.2 | COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1 | 10.1021/jm901785w | |||
| 10927693 | 56767 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| CHEMBL164281 | 56767 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | |||
| 52936297 | 61292 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 416 | 5 | 2 | 6 | 4.0 | COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 | 10.1021/jm101328n | |||
| CHEMBL1766358 | 61292 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 416 | 5 | 2 | 6 | 4.0 | COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 | 10.1021/jm101328n | |||
| 127036561 | 137638 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 411 | 5 | 1 | 6 | 4.7 | O=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | |||
| CHEMBL3754475 | 137638 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 411 | 5 | 1 | 6 | 4.7 | O=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | |||
| 11524705 | 77803 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 426 | 4 | 2 | 8 | 2.9 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1 | 10.1021/jm060373w | |||
| CHEMBL209122 | 77803 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 426 | 4 | 2 | 8 | 2.9 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4c(N)cccc4n3c2=O)cc1 | 10.1021/jm060373w | |||
| 168282045 | 191313 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 1 | 2 | ChEMBL | 496 | 10 | 3 | 8 | 5.1 | COc1cc(Nc2nc(CNCc3cccnc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| CHEMBL5189470 | 191313 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 1 | 2 | ChEMBL | 496 | 10 | 3 | 8 | 5.1 | COc1cc(Nc2nc(CNCc3cccnc3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC | 10.1021/acs.jmedchem.2c01123 | |||
| 71602202 | 86952 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 435 | 6 | 1 | 6 | 4.7 | COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)Cc4ccccc4)c3n2)cc1 | 10.1021/jm400068e | |||
| CHEMBL2322908 | 86952 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 435 | 6 | 1 | 6 | 4.7 | COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)Cc4ccccc4)c3n2)cc1 | 10.1021/jm400068e | |||
| 9935978 | 96930 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 506 | 6 | 6 | 11 | -1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm0408161 | |||
| CHEMBL265587 | 96930 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 506 | 6 | 6 | 11 | -1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm0408161 | |||
| 10874051 | 84284 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -46 | 2 | ChEMBL | 450 | 5 | 2 | 10 | 3.6 | COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | |||
| CHEMBL22113 | 84284 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -46 | 2 | ChEMBL | 450 | 5 | 2 | 10 | 3.6 | COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | |||
| 135513694 | 112864 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 295 | 1 | 1 | 4 | 3.9 | Oc1nc2ccccc2c2cc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmc.2012.10.031 | |||
| CHEMBL330664 | 112864 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 295 | 1 | 1 | 4 | 3.9 | Oc1nc2ccccc2c2cc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmc.2012.10.031 | |||
| 60155797 | 76995 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 489 | 5 | 2 | 9 | 3.2 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070887 | 76995 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 489 | 5 | 2 | 9 | 3.2 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 60154742 | 77200 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 39 | 2 | ChEMBL | 501 | 4 | 3 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071050 | 77200 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 39 | 2 | ChEMBL | 501 | 4 | 3 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2078766 | 77200 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 39 | 2 | ChEMBL | 501 | 4 | 3 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 44570156 | 177665 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 388 | 3 | 1 | 5 | 5.1 | O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccco1 | 10.1016/j.bmc.2008.10.018 | |||
| CHEMBL464040 | 177665 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 388 | 3 | 1 | 5 | 5.1 | O=C(Nc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)nc12)c1ccco1 | 10.1016/j.bmc.2008.10.018 | |||
| 71453989 | 83561 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | 1 | 2 | ChEMBL | 298 | 0 | 0 | 4 | 4.0 | Cn1c2cnc1OCC/C=C\CCCCOc1ccccc1-2 | 10.1021/jm1012374 | |||
| CHEMBL2203622 | 83561 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | 1 | 2 | ChEMBL | 298 | 0 | 0 | 4 | 4.0 | Cn1c2cnc1OCC/C=C\CCCCOc1ccccc1-2 | 10.1021/jm1012374 | |||
| 10065148 | 99169 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -57 | 2 | ChEMBL | 329 | 4 | 1 | 9 | 2.4 | CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| CHEMBL280888 | 99169 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | -57 | 2 | ChEMBL | 329 | 4 | 1 | 9 | 2.4 | CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | |||
| 135504122 | 210783 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 275 | 1 | 1 | 4 | 3.6 | Cc1ccc(-c2cc3c4ccccc4nc(O)n3n2)cc1 | 10.1016/j.bmc.2012.10.031 | |||
| CHEMBL99193 | 210783 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 275 | 1 | 1 | 4 | 3.6 | Cc1ccc(-c2cc3c4ccccc4nc(O)n3n2)cc1 | 10.1016/j.bmc.2012.10.031 | |||
| 24768447 | 97623 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 351 | 7 | 1 | 5 | 4.2 | CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 | 10.1021/jm701159t | |||
| CHEMBL270676 | 97623 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 351 | 7 | 1 | 5 | 4.2 | CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 | 10.1021/jm701159t | |||
| 60154738 | 77015 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 5 | 2 | ChEMBL | 548 | 5 | 3 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2071047 | 77015 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | 5 | 2 | ChEMBL | 548 | 5 | 3 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 60155798 | 76996 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 505 | 5 | 2 | 9 | 3.7 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| CHEMBL2070888 | 76996 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 505 | 5 | 2 | 9 | 3.7 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | |||
| 60155713 | 76990 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 395 | 3 | 2 | 9 | 1.5 | CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| CHEMBL2070881 | 76990 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 395 | 3 | 2 | 9 | 1.5 | CN1CCC(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)CC1 | 10.1021/jm300323t | |||
| 11611903 | 83129 | None | 0 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 1 | ChEMBL | 439 | 6 | 4 | 9 | 1.1 | OC[C@H]1O[C@@H](n2cnc3c(C(F)(F)F)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300087j | |||
| CHEMBL2181968 | 83129 | None | 0 | Human | Functional | pKd | = | 9.8 | 9.8 | - | 1 | ChEMBL | 439 | 6 | 4 | 9 | 1.1 | OC[C@H]1O[C@@H](n2cnc3c(C(F)(F)F)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300087j | |||
| 57325782 | 74303 | None | 0 | Human | Functional | pKd | = | 9.5 | 9.5 | - | 0 | ChEMBL | 533 | 14 | 3 | 9 | 3.2 | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCCCCCCCN)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2023738 | 74303 | None | 0 | Human | Functional | pKd | = | 9.5 | 9.5 | - | 0 | ChEMBL | 533 | 14 | 3 | 9 | 3.2 | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCCCCCCCN)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2024149 | 211592 | None | 0 | Human | Functional | pKd | = | 9.4 | 9.4 | - | 0 | ChEMBL | None | None | None | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||||
| 137635053 | 156146 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 406 | 6 | 0 | 8 | 2.3 | COc1cccc(Cn2c(=O)n(CC3CC3)c(=O)c3c2nc2cc(OC)ccn23)c1 | 10.1021/acs.jmedchem.7b00950 | |||
| CHEMBL4062581 | 156146 | None | 0 | Human | Functional | pKd | = | 8.9 | 8.9 | - | 0 | ChEMBL | 406 | 6 | 0 | 8 | 2.3 | COc1cccc(Cn2c(=O)n(CC3CC3)c(=O)c3c2nc2cc(OC)ccn23)c1 | 10.1021/acs.jmedchem.7b00950 | |||
| 57325783 | 74304 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 364 | 4 | 2 | 8 | 0.9 | COc1ccc(-n2nc3c(NC(=O)CN)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2023739 | 74304 | None | 0 | Human | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 364 | 4 | 2 | 8 | 0.9 | COc1ccc(-n2nc3c(NC(=O)CN)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| 155529088 | 171505 | None | 0 | Human | Functional | pKd | = | 5.9 | 5.9 | - | 0 | ChEMBL | 513 | 9 | 1 | 10 | 1.5 | CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1=O | 10.1021/acs.jmedchem.8b02026 | |||
| CHEMBL4462442 | 171505 | None | 0 | Human | Functional | pKd | = | 5.9 | 5.9 | - | 0 | ChEMBL | 513 | 9 | 1 | 10 | 1.5 | CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1=O | 10.1021/acs.jmedchem.8b02026 | |||
| 57325945 | 74321 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 1175 | 27 | 4 | 17 | 6.6 | CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3nc4ccccc4n4c(=O)n(-c5ccc(OC)cc5)nc34)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm201722y | |||
| 70692003 | 74321 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 1175 | 27 | 4 | 17 | 6.6 | CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3nc4ccccc4n4c(=O)n(-c5ccc(OC)cc5)nc34)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm201722y | |||
| CHEMBL2024151 | 74321 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 1175 | 27 | 4 | 17 | 6.6 | CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3nc4ccccc4n4c(=O)n(-c5ccc(OC)cc5)nc34)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm201722y | |||
| 11427243 | 109790 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 322 | 3 | 1 | 6 | 1.4 | COc1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1 | 10.1021/acs.jmedchem.7b00950 | |||
| CHEMBL322968 | 109790 | None | 0 | Human | Functional | pKd | = | 6.8 | 6.8 | - | 0 | ChEMBL | 322 | 3 | 1 | 6 | 1.4 | COc1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1 | 10.1021/acs.jmedchem.7b00950 | |||
| 21874557 | 3996 | None | 45 | Human | Functional | pKd | = | 5.8 | 5.8 | - | 0 | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | |||
| 5612 | 3996 | None | 45 | Human | Functional | pKd | = | 5.8 | 5.8 | - | 0 | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | |||
| CHEMBL447664 | 3996 | None | 45 | Human | Functional | pKd | = | 5.8 | 5.8 | - | 0 | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | |||
| DB06625 | 3996 | None | 45 | Human | Functional | pKd | = | 5.8 | 5.8 | - | 0 | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | |||
| CHEMBL2024148 | 211591 | None | 0 | Human | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||||
| 57325781 | 74302 | None | 0 | Human | Functional | pKd | = | 7.7 | 7.7 | - | 0 | ChEMBL | 537 | 14 | 3 | 11 | 0.9 | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCN)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2023737 | 74302 | None | 0 | Human | Functional | pKd | = | 7.7 | 7.7 | - | 0 | ChEMBL | 537 | 14 | 3 | 11 | 0.9 | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCN)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2024150 | 211593 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||||
| CHEMBL5081913 | 217264 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 0 | ChEMBL | None | None | None | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)cc3)nc2n(CCC)c1=O | 10.1021/acs.jmedchem.0c02067 | |||||
| 57325784 | 74320 | None | 0 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | 426 | 4 | 2 | 8 | 2.9 | COc1ccc(-n2nc3c(NC(=O)c4ccc(N)cc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2024147 | 74320 | None | 0 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | 426 | 4 | 2 | 8 | 2.9 | COc1ccc(-n2nc3c(NC(=O)c4ccc(N)cc4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| 155513958 | 169903 | None | 1 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 1 | ChEMBL | 517 | 9 | 1 | 10 | 1.7 | CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.8b02026 | |||
| CHEMBL4439336 | 169903 | None | 1 | Human | Functional | pKd | = | 7.4 | 7.4 | - | 1 | ChEMBL | 517 | 9 | 1 | 10 | 1.7 | CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.8b02026 | |||
| 9869857 | 66851 | None | 12 | Human | Functional | pKd | = | 8.3 | 8.3 | -1 | 5 | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm300087j | |||
| CHEMBL186113 | 66851 | None | 12 | Human | Functional | pKd | = | 8.3 | 8.3 | -1 | 5 | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm300087j | |||
| 57326041 | 74322 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1549 | 58 | 4 | 28 | 3.0 | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4ccc(-c5c6ccc(=[N+](C)C)cc-6oc6cc(N(C)C)ccc56)c(C(=O)[O-])c4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL2024152 | 74322 | None | 0 | Human | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1549 | 58 | 4 | 28 | 3.0 | COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4ccc(-c5c6ccc(=[N+](C)C)cc-6oc6cc(N(C)C)ccc56)c(C(=O)[O-])c4)nc4ccccc4n3c2=O)cc1 | 10.1021/jm201722y | |||
| CHEMBL5092175 | 217839 | None | 0 | Human | Functional | pKd | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)cc3)nc2n(CCC)c1=O | 10.1021/acs.jmedchem.0c02067 | |||||
| 11427243 | 109790 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 322 | 3 | 1 | 6 | 1.4 | COc1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1 | 10.1021/acs.jmedchem.7b00950 | |||
| CHEMBL322968 | 109790 | None | 0 | Human | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 322 | 3 | 1 | 6 | 1.4 | COc1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1 | 10.1021/acs.jmedchem.7b00950 | |||
| 155529088 | 171505 | None | 0 | Human | Functional | pKd | = | 6.2 | 6.2 | - | 0 | ChEMBL | 513 | 9 | 1 | 10 | 1.5 | CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1=O | 10.1021/acs.jmedchem.8b02026 | |||
| CHEMBL4462442 | 171505 | None | 0 | Human | Functional | pKd | = | 6.2 | 6.2 | - | 0 | ChEMBL | 513 | 9 | 1 | 10 | 1.5 | CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1=O | 10.1021/acs.jmedchem.8b02026 | |||
| 54587496 | 61708 | None | 0 | Human | Functional | pKi | = | 11 | 11.0 | - | 0 | ChEMBL | 376 | 3 | 2 | 8 | 1.3 | Cn1cc2c(nc(NC(=O)N[n+]3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL1771603 | 61708 | None | 0 | Human | Functional | pKi | = | 11 | 11.0 | - | 0 | ChEMBL | 376 | 3 | 2 | 8 | 1.3 | Cn1cc2c(nc(NC(=O)N[n+]3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11761221 | 58174 | None | 0 | Human | Functional | pKi | = | 9.8 | 9.8 | - | 0 | ChEMBL | 402 | 5 | 2 | 8 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL168018 | 58174 | None | 0 | Human | Functional | pKi | = | 9.8 | 9.8 | - | 0 | ChEMBL | 402 | 5 | 2 | 8 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9929470 | 110536 | None | 0 | Human | Functional | pKi | = | 9.8 | 9.8 | - | 1 | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL324735 | 110536 | None | 0 | Human | Functional | pKi | = | 9.8 | 9.8 | - | 1 | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11728808 | 120377 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 0 | ChEMBL | 388 | 4 | 2 | 8 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL352796 | 120377 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 0 | ChEMBL | 388 | 4 | 2 | 8 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9801343 | 112487 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL329791 | 112487 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 1 | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10905799 | 119974 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 0 | ChEMBL | 416 | 6 | 2 | 8 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL349240 | 119974 | None | 0 | Human | Functional | pKi | = | 9.7 | 9.7 | - | 0 | ChEMBL | 416 | 6 | 2 | 8 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10884265 | 57426 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 1 | ChEMBL | 418 | 3 | 2 | 10 | 2.6 | Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL165224 | 57426 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 1 | ChEMBL | 418 | 3 | 2 | 10 | 2.6 | Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11112849 | 57320 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 432 | 4 | 2 | 10 | 3.1 | CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL165083 | 57320 | None | 0 | Human | Functional | pKi | = | 9.6 | 9.6 | - | 0 | ChEMBL | 432 | 4 | 2 | 10 | 3.1 | CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10939224 | 57553 | None | 0 | Human | Functional | pKi | = | 9.5 | 9.5 | - | 0 | ChEMBL | 446 | 5 | 2 | 10 | 3.5 | CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL166301 | 57553 | None | 0 | Human | Functional | pKi | = | 9.5 | 9.5 | - | 0 | ChEMBL | 446 | 5 | 2 | 10 | 3.5 | CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10623248 | 112703 | None | 0 | Human | Functional | pKi | = | 9.5 | 9.5 | - | 1 | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL330286 | 112703 | None | 0 | Human | Functional | pKi | = | 9.5 | 9.5 | - | 1 | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11037972 | 57473 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 0 | ChEMBL | 466 | 4 | 2 | 8 | 4.2 | CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL165600 | 57473 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 0 | ChEMBL | 466 | 4 | 2 | 8 | 4.2 | CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9822747 | 119445 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL344501 | 119445 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11133545 | 120534 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 419 | 4 | 2 | 10 | 2.8 | Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL354161 | 120534 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 419 | 4 | 2 | 10 | 2.8 | Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 135401232 | 3206 | None | 4 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1016/j.ejmech.2021.113907 | |||
| 5619 | 3206 | None | 4 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL1562432 | 3206 | None | 4 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 1 | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1016/j.ejmech.2021.113907 | |||
| 11733556 | 120081 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 0 | ChEMBL | 480 | 5 | 2 | 8 | 4.6 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL350205 | 120081 | None | 0 | Human | Functional | pKi | = | 9.4 | 9.4 | - | 0 | ChEMBL | 480 | 5 | 2 | 8 | 4.6 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11144868 | 119936 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 1 | ChEMBL | 452 | 3 | 2 | 8 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL348925 | 119936 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 1 | ChEMBL | 452 | 3 | 2 | 8 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10994183 | 120296 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL352192 | 120296 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10928649 | 58163 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 461 | 7 | 2 | 10 | 4.1 | CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL167915 | 58163 | None | 0 | Human | Functional | pKi | = | 9.3 | 9.3 | - | 0 | ChEMBL | 461 | 7 | 2 | 10 | 4.1 | CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10647227 | 165549 | None | 0 | Human | Functional | pKi | = | 9.2 | 9.2 | - | 1 | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL423934 | 165549 | None | 0 | Human | Functional | pKi | = | 9.2 | 9.2 | - | 1 | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9953799 | 205832 | None | 2 | Human | Functional | pKi | = | 9.2 | 9.2 | - | 1 | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL65271 | 205832 | None | 2 | Human | Functional | pKi | = | 9.2 | 9.2 | - | 1 | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 393595 | 2637 | None | 36 | Human | Functional | pKi | = | 9.2 | 9.2 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 448 | 2637 | None | 36 | Human | Functional | pKi | = | 9.2 | 9.2 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL88147 | 2637 | None | 36 | Human | Functional | pKi | = | 9.2 | 9.2 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11026434 | 57509 | None | 0 | Human | Functional | pKi | = | 9.2 | 9.2 | - | 0 | ChEMBL | 433 | 5 | 2 | 10 | 3.3 | CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL165910 | 57509 | None | 0 | Human | Functional | pKi | = | 9.2 | 9.2 | - | 0 | ChEMBL | 433 | 5 | 2 | 10 | 3.3 | CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11014188 | 118547 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 1 | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL341376 | 118547 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 1 | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10884803 | 120847 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 447 | 6 | 2 | 10 | 3.7 | CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL355415 | 120847 | None | 0 | Human | Functional | pKi | = | 9.1 | 9.1 | - | 0 | ChEMBL | 447 | 6 | 2 | 10 | 3.7 | CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9910926 | 29339 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 1 | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL138332 | 29339 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 1 | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10918042 | 120148 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 0 | ChEMBL | 494 | 6 | 2 | 8 | 4.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL350830 | 120148 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 0 | ChEMBL | 494 | 6 | 2 | 8 | 4.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11784369 | 119989 | None | 0 | Human | Functional | pKi | = | 9 | 9.0 | - | 0 | ChEMBL | 401 | 6 | 1 | 8 | 3.3 | CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL349464 | 119989 | None | 0 | Human | Functional | pKi | = | 9 | 9.0 | - | 0 | ChEMBL | 401 | 6 | 1 | 8 | 3.3 | CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10971099 | 57316 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 0 | ChEMBL | 387 | 5 | 1 | 8 | 2.9 | CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL165073 | 57316 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 0 | ChEMBL | 387 | 5 | 1 | 8 | 2.9 | CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11811761 | 56566 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 0 | ChEMBL | 415 | 7 | 1 | 8 | 3.7 | CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL163968 | 56566 | None | 0 | Human | Functional | pKi | = | 9.0 | 9.0 | - | 0 | ChEMBL | 415 | 7 | 1 | 8 | 3.7 | CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10619822 | 57197 | None | 0 | Human | Functional | pKi | = | 8.8 | 8.8 | - | 0 | ChEMBL | 381 | 3 | 1 | 6 | 3.3 | O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16488 | 57197 | None | 0 | Human | Functional | pKi | = | 8.8 | 8.8 | - | 0 | ChEMBL | 381 | 3 | 1 | 6 | 3.3 | O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9910158 | 32458 | None | 0 | Human | Functional | pKi | = | 8.8 | 8.8 | - | 1 | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL141154 | 32458 | None | 0 | Human | Functional | pKi | = | 8.8 | 8.8 | - | 1 | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11531978 | 79777 | None | 0 | Human | Functional | pKi | = | 7 | 7.0 | - | 0 | ChEMBL | 426 | 4 | 1 | 8 | 3.2 | O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL211713 | 79777 | None | 0 | Human | Functional | pKi | = | 7 | 7.0 | - | 0 | ChEMBL | 426 | 4 | 1 | 8 | 3.2 | O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10267860 | 176928 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL461007 | 176928 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL5080823 | 217195 | None | 0 | Human | Functional | pKi | = | 8.0 | 8.0 | - | 0 | ChEMBL | None | None | None | CCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | |||||
| 11762982 | 26213 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 1 | ChEMBL | 513 | 7 | 1 | 8 | 5.3 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL135719 | 26213 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 1 | ChEMBL | 513 | 7 | 1 | 8 | 5.3 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 9892149 | 59644 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 499 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17202 | 59644 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 499 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 11733496 | 24913 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 1 | ChEMBL | 477 | 8 | 1 | 8 | 4.5 | O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL134566 | 24913 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 1 | ChEMBL | 477 | 8 | 1 | 8 | 4.5 | O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 11801496 | 98800 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL278039 | 98800 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| 11801496 | 98800 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL278039 | 98800 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 2690 | 903 | None | 44 | Human | Functional | pKi | = | 7.9 | 7.9 | -123 | 5 | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1016/j.bmcl.2011.03.073 | |||
| 384 | 903 | None | 44 | Human | Functional | pKi | = | 7.9 | 7.9 | -123 | 5 | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16687 | 903 | None | 44 | Human | Functional | pKi | = | 7.9 | 7.9 | -123 | 5 | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1016/j.bmcl.2011.03.073 | |||
| 2519 | 779 | None | 49 | Human | Functional | pKi | = | 4.9 | 4.9 | -21877 | 8 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | |||
| 2519.0 | 779 | None | 49 | Human | Functional | pKi | = | 4.9 | 4.9 | -21877 | 8 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | |||
| 407 | 779 | None | 49 | Human | Functional | pKi | = | 4.9 | 4.9 | -21877 | 8 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | |||
| 463 | 779 | None | 49 | Human | Functional | pKi | = | 4.9 | 4.9 | -21877 | 8 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL113 | 779 | None | 49 | Human | Functional | pKi | = | 4.9 | 4.9 | -21877 | 8 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | |||
| DB00201 | 779 | None | 49 | Human | Functional | pKi | = | 4.9 | 4.9 | -21877 | 8 | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | |||
| 9825550 | 57609 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL16677 | 57609 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 10839296 | 58160 | None | 1 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 506 | 10 | 2 | 9 | 3.3 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL16787 | 58160 | None | 1 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 506 | 10 | 2 | 9 | 3.3 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 10544617 | 98266 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | ChEMBL | 333 | 3 | 1 | 6 | 2.4 | CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL274273 | 98266 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | ChEMBL | 333 | 3 | 1 | 6 | 2.4 | CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| 44572355 | 179690 | None | 0 | Human | Functional | pKi | = | 4.8 | 4.8 | - | 0 | ChEMBL | 269 | 2 | 1 | 5 | 1.8 | CC(C)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL474207 | 179690 | None | 0 | Human | Functional | pKi | = | 4.8 | 4.8 | - | 0 | ChEMBL | 269 | 2 | 1 | 5 | 1.8 | CC(C)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2010.04.039 | |||
| 443 | 755 | None | 9 | Rat | Functional | pKi | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | |||
| 6439089 | 755 | None | 9 | Rat | Functional | pKi | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | |||
| CHEMBL16997 | 755 | None | 9 | Rat | Functional | pKi | = | 4.8 | 4.8 | - | 0 | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | |||
| 10613770 | 57573 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 295 | 1 | 1 | 6 | 1.8 | Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16643 | 57573 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 295 | 1 | 1 | 6 | 1.8 | Nc1nc2ccccc2n2c(=O)n(-c3cccc(F)c3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| 42626000 | 180322 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 308 | 2 | 1 | 8 | 1.0 | COc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL474977 | 180322 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 308 | 2 | 1 | 8 | 1.0 | COc1ccc(-n2nc3c(N)nc4ncccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 44388205 | 11744 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 402 | 6 | 2 | 9 | 1.9 | NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL1181535 | 11744 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 402 | 6 | 2 | 9 | 1.9 | NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL176010 | 11744 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 402 | 6 | 2 | 9 | 1.9 | NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10067267 | 58147 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 363 | 3 | 1 | 6 | 3.5 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16774 | 58147 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 363 | 3 | 1 | 6 | 3.5 | O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12 | 10.1016/j.bmcl.2011.03.073 | |||
| 3661570 | 2641 | None | 42 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 3 | ChEMBL | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | 10.1016/j.ejmech.2021.113907 | |||
| 474 | 2641 | None | 42 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 3 | ChEMBL | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL111545 | 2641 | None | 42 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 3 | ChEMBL | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | 10.1016/j.ejmech.2021.113907 | |||
| 10720065 | 98450 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 495 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL275427 | 98450 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 495 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 10338801 | 109797 | None | 0 | Human | Functional | pKi | = | 8.7 | 8.7 | - | 0 | ChEMBL | 364 | 3 | 1 | 4 | 4.8 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL322983 | 109797 | None | 0 | Human | Functional | pKi | = | 8.7 | 8.7 | - | 0 | ChEMBL | 364 | 3 | 1 | 4 | 4.8 | O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 135433658 | 3207 | None | 2 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2021.113907 | |||
| 5620 | 3207 | None | 2 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2021.113907 | |||
| 9882625 | 3207 | None | 2 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL1625681 | 3207 | None | 2 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2021.113907 | |||
| 11081189 | 120439 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 470 | 5 | 2 | 8 | 5.1 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL353299 | 120439 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 470 | 5 | 2 | 8 | 5.1 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11560605 | 78076 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 411 | 4 | 1 | 7 | 3.3 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL209943 | 78076 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 411 | 4 | 1 | 7 | 3.3 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 25188209 | 178864 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 311 | 3 | 1 | 8 | 1.6 | Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL468701 | 178864 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 311 | 3 | 1 | 8 | 1.6 | Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | |||
| 10792296 | 98719 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 529 | 9 | 2 | 7 | 4.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL277386 | 98719 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 529 | 9 | 2 | 7 | 4.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 2153 | 3800 | None | 72 | Human | Functional | pKi | = | 4.7 | 4.7 | -4 | 5 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | |||
| 2153.0 | 3800 | None | 72 | Human | Functional | pKi | = | 4.7 | 4.7 | -4 | 5 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | |||
| 2620 | 3800 | None | 72 | Human | Functional | pKi | = | 4.7 | 4.7 | -4 | 5 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | |||
| 413 | 3800 | None | 72 | Human | Functional | pKi | = | 4.7 | 4.7 | -4 | 5 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL190 | 3800 | None | 72 | Human | Functional | pKi | = | 4.7 | 4.7 | -4 | 5 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | |||
| DB00277 | 3800 | None | 72 | Human | Functional | pKi | = | 4.7 | 4.7 | -4 | 5 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | |||
| 14484978 | 97645 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 483 | 9 | 1 | 10 | 1.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL27081 | 97645 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 483 | 9 | 1 | 10 | 1.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 3287 | 2642 | None | 33 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1016/j.ejmech.2010.04.039 | |||
| 5139184 | 2642 | None | 33 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL17002 | 2642 | None | 33 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1016/j.ejmech.2010.04.039 | |||
| 3287 | 2642 | None | 33 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/jm990421v | |||
| 5139184 | 2642 | None | 33 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/jm990421v | |||
| CHEMBL17002 | 2642 | None | 33 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/jm990421v | |||
| 10840167 | 59196 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17003 | 59196 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 135911553 | 201352 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 240 | 2 | 1 | 4 | 1.7 | CCc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1 | 10.1021/jm900718w | |||
| CHEMBL584382 | 201352 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 240 | 2 | 1 | 4 | 1.7 | CCc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1 | 10.1021/jm900718w | |||
| 9803992 | 110487 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 1 | ChEMBL | 454 | 4 | 3 | 10 | 2.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL324512 | 110487 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 1 | ChEMBL | 454 | 4 | 3 | 10 | 2.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 404 | 4098 | None | 26 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 2 | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | |||
| 432 | 4098 | None | 26 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 2 | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | |||
| 5697 | 4098 | None | 26 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 2 | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | |||
| CHEMBL273094 | 4098 | None | 26 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 2 | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | |||
| 10451086 | 98585 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 359 | 3 | 1 | 6 | 3.7 | Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL276321 | 98585 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 359 | 3 | 1 | 6 | 3.7 | Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1 | 10.1016/j.bmcl.2011.03.073 | |||
| 135911556 | 201353 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 242 | 2 | 1 | 5 | 1.1 | COc1ccc(-n2cc3nc[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| CHEMBL584383 | 201353 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 242 | 2 | 1 | 5 | 1.1 | COc1ccc(-n2cc3nc[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| 10387088 | 59474 | None | 0 | Rat | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 414 | 10 | 2 | 7 | 2.6 | CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17123 | 59474 | None | 0 | Rat | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 414 | 10 | 2 | 7 | 2.6 | CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O | 10.1021/jm990421v | |||
| 10834552 | 56120 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 396 | 3 | 2 | 6 | 3.7 | O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16254 | 56120 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 396 | 3 | 2 | 6 | 3.7 | O=C(Nc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10541585 | 162475 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 291 | 1 | 1 | 6 | 1.9 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL416537 | 162475 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 291 | 1 | 1 | 6 | 1.9 | Cc1cccc(-n2nc3c(N)nc4ccccc4n3c2=O)c1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10246959 | 58781 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16867 | 58781 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 49863226 | 15224 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 311 | 3 | 1 | 9 | 0.6 | Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL1210734 | 15224 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 311 | 3 | 1 | 9 | 0.6 | Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | |||
| 9850900 | 98404 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL275149 | 98404 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| 9850900 | 98404 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL275149 | 98404 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL5076192 | 216907 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | |||||
| 10045876 | 2634 | None | 16 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 389 | 3 | 1 | 6 | 4.4 | Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1 | 10.1016/j.bmcl.2011.03.073 | |||
| 468 | 2634 | None | 16 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 389 | 3 | 1 | 6 | 4.4 | Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL317382 | 2634 | None | 16 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 389 | 3 | 1 | 6 | 4.4 | Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1 | 10.1016/j.bmcl.2011.03.073 | |||
| 44427587 | 144258 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 394 | 4 | 1 | 5 | 4.8 | COc1ccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL390407 | 144258 | None | 0 | Human | Functional | pKi | = | 8.5 | 8.5 | - | 0 | ChEMBL | 394 | 4 | 1 | 5 | 4.8 | COc1ccc(-n2cc3c(n2)c(NC(=O)c2ccccc2)nc2ccccc23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11812897 | 120363 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 484 | 6 | 2 | 8 | 5.5 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL352707 | 120363 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 484 | 6 | 2 | 8 | 5.5 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10834512 | 99067 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 395 | 4 | 1 | 6 | 3.2 | O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL280080 | 99067 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 395 | 4 | 1 | 6 | 3.2 | O=C(Cc1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| 443 | 755 | None | 9 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | |||
| 6439089 | 755 | None | 9 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | |||
| CHEMBL16997 | 755 | None | 9 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | |||
| 10007115 | 116408 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 1 | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL335950 | 116408 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 1 | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 11826924 | 118809 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 1 | ChEMBL | 479 | 8 | 1 | 9 | 4.0 | O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL341777 | 118809 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 1 | ChEMBL | 479 | 8 | 1 | 9 | 4.0 | O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10587109 | 118849 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL342059 | 118849 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10839228 | 59885 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 504 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17294 | 59885 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 504 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 21916394 | 160907 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 458 | 6 | 1 | 7 | 3.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL411452 | 160907 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 458 | 6 | 1 | 7 | 3.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1016/j.ejmech.2010.04.039 | |||
| 10638807 | 58242 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 311 | 1 | 1 | 6 | 2.3 | Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16820 | 58242 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 311 | 1 | 1 | 6 | 2.3 | Nc1nc2ccccc2n2c(=O)n(-c3ccc(Cl)cc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| 23657106 | 153409 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 311 | 1 | 1 | 6 | 2.2 | Nc1nc2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL397821 | 153409 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 311 | 1 | 1 | 6 | 2.2 | Nc1nc2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10659581 | 28813 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 269 | 2 | 1 | 8 | 1.3 | CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL137879 | 28813 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 269 | 2 | 1 | 8 | 1.3 | CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 135508372 | 67271 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 1 | ChEMBL | 275 | 1 | 1 | 4 | 3.6 | Cc1ccc(-n2cc3c(O)nc4ccccc4c3n2)cc1 | 10.1021/jm050125k | |||
| CHEMBL188035 | 67271 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 1 | ChEMBL | 275 | 1 | 1 | 4 | 3.6 | Cc1ccc(-n2cc3c(O)nc4ccccc4c3n2)cc1 | 10.1021/jm050125k | |||
| 23657105 | 89389 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 277 | 1 | 1 | 6 | 1.6 | Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL236958 | 89389 | None | 0 | Human | Functional | pKi | = | 7.5 | 7.5 | - | 0 | ChEMBL | 277 | 1 | 1 | 6 | 1.6 | Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 9870719 | 57434 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL16534 | 57434 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 135911562 | 200540 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 240 | 1 | 1 | 4 | 1.7 | Cc1cccc(-n2cc3nc(C)[nH]c(=O)c3n2)c1 | 10.1021/jm900718w | |||
| CHEMBL574352 | 200540 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 240 | 1 | 1 | 4 | 1.7 | Cc1cccc(-n2cc3nc(C)[nH]c(=O)c3n2)c1 | 10.1021/jm900718w | |||
| 9936467 | 58109 | None | 1 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 519 | 10 | 2 | 9 | 3.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL16741 | 58109 | None | 1 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 519 | 10 | 2 | 9 | 3.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 23656931 | 88535 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 295 | 1 | 1 | 6 | 1.7 | Nc1nc2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL235071 | 88535 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 295 | 1 | 1 | 6 | 1.7 | Nc1nc2ccccc2n2c(=O)c(-c3ccc(F)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 21874755 | 176997 | None | 1 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 336 | 4 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL461656 | 176997 | None | 1 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 336 | 4 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL5074992 | 216838 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | |||||
| 10767043 | 59040 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 479 | 9 | 2 | 7 | 3.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL16929 | 59040 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 479 | 9 | 2 | 7 | 3.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 126079 | 4100 | None | 29 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | |||
| 451 | 4100 | None | 29 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | |||
| CHEMBL27041 | 4100 | None | 29 | Human | Functional | pKi | = | 5.4 | 5.4 | - | 0 | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | |||
| CHEMBL5073669 | 216789 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | |||||
| 42626221 | 179519 | None | 12 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 1 | ChEMBL | 412 | 4 | 1 | 8 | 2.7 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL474016 | 179519 | None | 12 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 1 | ChEMBL | 412 | 4 | 1 | 8 | 2.7 | COc1ccc(-n2nc3c(NC(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 44388246 | 60506 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | 444 | 5 | 2 | 8 | 3.9 | CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL175494 | 60506 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | 444 | 5 | 2 | 8 | 3.9 | CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL5089483 | 217699 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | |||||
| 11027412 | 29637 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 1 | ChEMBL | 493 | 9 | 1 | 9 | 4.4 | O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL138593 | 29637 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 1 | ChEMBL | 493 | 9 | 1 | 9 | 4.4 | O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 11762418 | 57195 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 468 | 5 | 3 | 10 | 2.6 | CCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL164867 | 57195 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 468 | 5 | 3 | 10 | 2.6 | CCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)O)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 11568203 | 96297 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 432 | 5 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL260975 | 96297 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 432 | 5 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| 10779327 | 119473 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 1 | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL344706 | 119473 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 1 | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 135405767 | 124121 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 291 | 2 | 1 | 5 | 3.3 | COc1ccc(-n2cc3c(O)nc4ccccc4c3n2)cc1 | 10.1021/jm050125k | |||
| CHEMBL363150 | 124121 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | 291 | 2 | 1 | 5 | 3.3 | COc1ccc(-n2cc3c(O)nc4ccccc4c3n2)cc1 | 10.1021/jm050125k | |||
| CHEMBL5092788 | 217879 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 0 | ChEMBL | None | None | None | C#CCCCCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCCNC(=O)c5ccc(S(=O)(=O)F)cc5)c4[nH]3)(CC1)CC2 | 10.1021/acs.jmedchem.0c02169 | |||||
| 10737168 | 165430 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL423542 | 165430 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10994216 | 195980 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 1 | ChEMBL | 463 | 7 | 1 | 8 | 4.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL541455 | 195980 | None | 0 | Human | Functional | pKi | = | 7.4 | 7.4 | - | 1 | ChEMBL | 463 | 7 | 1 | 8 | 4.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10709852 | 56586 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 307 | 2 | 1 | 7 | 1.6 | COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16416 | 56586 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 307 | 2 | 1 | 7 | 1.6 | COc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 450 | 2970 | None | 7 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | |||
| 454 | 2970 | None | 7 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | |||
| 5311041 | 2970 | None | 7 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL485862 | 2970 | None | 7 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | |||
| 135911561 | 201308 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 240 | 1 | 1 | 4 | 1.7 | Cc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| CHEMBL583794 | 201308 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 240 | 1 | 1 | 4 | 1.7 | Cc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| CHEMBL5089727 | 217713 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | None | None | None | C#CCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCCNC(=O)c5ccc(S(=O)(=O)F)cc5)c4[nH]3)(CC1)CC2 | 10.1021/acs.jmedchem.0c02169 | |||||
| 10755990 | 98180 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 291 | 1 | 1 | 6 | 1.9 | Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL273578 | 98180 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 291 | 1 | 1 | 6 | 1.9 | Cc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 42626156 | 189804 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 296 | 1 | 1 | 7 | 1.2 | Nc1nc2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL515433 | 189804 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 296 | 1 | 1 | 7 | 1.2 | Nc1nc2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2011.03.073 | |||
| 393595 | 2637 | None | 36 | Human | Functional | pKi | = | 8.3 | 8.3 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acs.jmedchem.0c02169 | |||
| 448 | 2637 | None | 36 | Human | Functional | pKi | = | 8.3 | 8.3 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acs.jmedchem.0c02169 | |||
| CHEMBL88147 | 2637 | None | 36 | Human | Functional | pKi | = | 8.3 | 8.3 | 16 | 3 | ChEMBL | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 10.1021/acs.jmedchem.0c02169 | |||
| 135911557 | 200520 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | 256 | 2 | 1 | 5 | 1.4 | COc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| CHEMBL574132 | 200520 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | 256 | 2 | 1 | 5 | 1.4 | COc1ccc(-n2cc3nc(C)[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| 10895565 | 168555 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 1 | ChEMBL | 445 | 8 | 1 | 9 | 3.8 | CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL435022 | 168555 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 1 | ChEMBL | 445 | 8 | 1 | 9 | 3.8 | CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 46887898 | 9105 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 316 | 3 | 1 | 4 | 3.1 | Cc1ccc(-c2ncc3[nH]c(=O)n(Cc4ccccc4)c3n2)cc1 | 10.1016/j.bmc.2010.03.048 | |||
| CHEMBL1099202 | 9105 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 316 | 3 | 1 | 4 | 3.1 | Cc1ccc(-c2ncc3[nH]c(=O)n(Cc4ccccc4)c3n2)cc1 | 10.1016/j.bmc.2010.03.048 | |||
| 23657107 | 88536 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 307 | 2 | 1 | 7 | 1.6 | COc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL235075 | 88536 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 307 | 2 | 1 | 7 | 1.6 | COc1ccc(-c2nn3c(N)nc4ccccc4n3c2=O)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 12293993 | 156540 | None | 8 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | ChEMBL | 291 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1 | 10.1021/acs.jmedchem.1c01636 | |||
| CHEMBL406714 | 156540 | None | 8 | Human | Functional | pKi | = | 5.3 | 5.3 | - | 0 | ChEMBL | 291 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)n1 | 10.1021/acs.jmedchem.1c01636 | |||
| 9870396 | 139124 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL378598 | 139124 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | |||
| 135454766 | 125102 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 261 | 1 | 1 | 4 | 3.3 | Oc1nc2ccccc2c2nn(-c3ccccc3)cc12 | 10.1021/jm050125k | |||
| CHEMBL364319 | 125102 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 261 | 1 | 1 | 4 | 3.3 | Oc1nc2ccccc2c2nn(-c3ccccc3)cc12 | 10.1021/jm050125k | |||
| 10043187 | 99093 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 345 | 3 | 1 | 6 | 3.4 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL280278 | 99093 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 345 | 3 | 1 | 6 | 3.4 | O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10763173 | 57854 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 393 | 3 | 1 | 6 | 4.4 | O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16715 | 57854 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 393 | 3 | 1 | 6 | 4.4 | O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12 | 10.1016/j.bmcl.2011.03.073 | |||
| 449 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | |||
| 453 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | |||
| 6603931 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | |||
| CHEMBL273807 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | |||
| 449 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | |||
| 453 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | |||
| 6603931 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | |||
| CHEMBL273807 | 2643 | None | 38 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 4 | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | |||
| 127041420 | 136898 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1016/j.ejmech.2021.113907 | |||
| CHEMBL3741543 | 136898 | None | 0 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1016/j.ejmech.2021.113907 | |||
| 10601859 | 119214 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 512 | 7 | 2 | 8 | 5.7 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL342906 | 119214 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 512 | 7 | 2 | 8 | 5.7 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10637742 | 58969 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 297 | 4 | 1 | 8 | 2.1 | CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16894 | 58969 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 297 | 4 | 1 | 8 | 2.1 | CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9870718 | 60006 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17341 | 60006 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 135911558 | 200584 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 270 | 3 | 1 | 5 | 1.7 | CCc1nc2cn(-c3ccc(OC)cc3)nc2c(=O)[nH]1 | 10.1021/jm900718w | |||
| CHEMBL574624 | 200584 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 270 | 3 | 1 | 5 | 1.7 | CCc1nc2cn(-c3ccc(OC)cc3)nc2c(=O)[nH]1 | 10.1021/jm900718w | |||
| 44388211 | 62120 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 458 | 6 | 2 | 8 | 4.3 | CC(C)(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL177524 | 62120 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 458 | 6 | 2 | 8 | 4.3 | CC(C)(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 44388252 | 63434 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 396 | 6 | 2 | 8 | 3.3 | CC(C)CCn1cc2c(nc(NC(=O)NC(C)C)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL179638 | 63434 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 396 | 6 | 2 | 8 | 3.3 | CC(C)CCn1cc2c(nc(NC(=O)NC(C)C)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 9936058 | 59577 | None | 2 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 508 | 9 | 2 | 9 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17173 | 59577 | None | 2 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 508 | 9 | 2 | 9 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| 42626004 | 179454 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 382 | 3 | 1 | 7 | 2.7 | O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL473650 | 179454 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 382 | 3 | 1 | 7 | 2.7 | O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10852506 | 107037 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 311 | 4 | 1 | 8 | 2.4 | CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL315150 | 107037 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 311 | 4 | 1 | 8 | 2.4 | CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmcl.2011.03.073 | |||
| 135911551 | 200425 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 212 | 1 | 1 | 4 | 1.1 | O=c1[nH]cnc2cn(-c3ccccc3)nc12 | 10.1021/jm900718w | |||
| CHEMBL573502 | 200425 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 212 | 1 | 1 | 4 | 1.1 | O=c1[nH]cnc2cn(-c3ccccc3)nc12 | 10.1021/jm900718w | |||
| 126079 | 4100 | None | 29 | Rat | Functional | pKi | = | 4.1 | 4.1 | - | 0 | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | |||
| 451 | 4100 | None | 29 | Rat | Functional | pKi | = | 4.1 | 4.1 | - | 0 | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | |||
| CHEMBL27041 | 4100 | None | 29 | Rat | Functional | pKi | = | 4.1 | 4.1 | - | 0 | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | |||
| 9912816 | 98487 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL275605 | 98487 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL5088372 | 217645 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | |||||
| 54587662 | 61438 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | 507 | 7 | 1 | 7 | 5.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL1770311 | 61438 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | 507 | 7 | 1 | 7 | 5.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 54587662 | 61438 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | 507 | 7 | 1 | 7 | 5.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL1770311 | 61438 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | 507 | 7 | 1 | 7 | 5.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 541903 | 57964 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 382 | 8 | 2 | 7 | 1.4 | C=CCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CC=C)c1=O | 10.1021/jm990421v | |||
| CHEMBL16724 | 57964 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 382 | 8 | 2 | 7 | 1.4 | C=CCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CC=C)c1=O | 10.1021/jm990421v | |||
| 135911560 | 200586 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 332 | 4 | 1 | 5 | 2.7 | COc1ccc(-n2cc3nc(Cc4ccccc4)[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| CHEMBL574639 | 200586 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 332 | 4 | 1 | 5 | 2.7 | COc1ccc(-n2cc3nc(Cc4ccccc4)[nH]c(=O)c3n2)cc1 | 10.1021/jm900718w | |||
| 135911552 | 201195 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 226 | 1 | 1 | 4 | 1.4 | Cc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1 | 10.1021/jm900718w | |||
| CHEMBL582911 | 201195 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 226 | 1 | 1 | 4 | 1.4 | Cc1nc2cn(-c3ccccc3)nc2c(=O)[nH]1 | 10.1021/jm900718w | |||
| 44388242 | 123352 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | 430 | 6 | 2 | 8 | 3.5 | CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL361412 | 123352 | None | 0 | Human | Functional | pKi | = | 8.1 | 8.1 | - | 0 | ChEMBL | 430 | 6 | 2 | 8 | 3.5 | CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmcl.2011.03.073 | |||
| 10732242 | 5164 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 0 | ChEMBL | 290 | 2 | 1 | 5 | 3.2 | COc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL105913 | 5164 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 0 | ChEMBL | 290 | 2 | 1 | 5 | 3.2 | COc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 10387088 | 59474 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 0 | ChEMBL | 414 | 10 | 2 | 7 | 2.6 | CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O | 10.1021/jm990421v | |||
| CHEMBL17123 | 59474 | None | 0 | Human | Functional | pKi | = | 7.0 | 7.0 | - | 0 | ChEMBL | 414 | 10 | 2 | 7 | 2.6 | CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O | 10.1021/jm990421v | |||
| 9957239 | 59434 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 490 | 7 | 2 | 6 | 4.8 | O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)cc1 | 10.1021/jm990421v | |||
| CHEMBL17103 | 59434 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 490 | 7 | 2 | 6 | 4.8 | O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)cc1 | 10.1021/jm990421v | |||
| 10741090 | 55659 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 426 | 4 | 2 | 7 | 3.7 | COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| CHEMBL16215 | 55659 | None | 0 | Human | Functional | pKi | = | 6.0 | 6.0 | - | 0 | ChEMBL | 426 | 4 | 2 | 7 | 3.7 | COc1ccc(NC(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccccc4)nc23)cc1 | 10.1016/j.bmcl.2011.03.073 | |||
| 656511 | 220202 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 2 | Drug Central | 539 | 6 | 3 | 8 | -0.2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O | None | |||
| 1310 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| 1369 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| 33032 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| 44272391 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| 88747398 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| CHEMBL575060 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| DB00142 | 2315 | None | 61 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 2 | 17 | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | |||
| 135398737 | 958 | None | 57 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 43 | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 135398737.0 | 958 | None | 57 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 43 | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 958 | None | 57 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 43 | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 958 | None | 57 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 43 | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 958 | None | 57 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 43 | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 958 | None | 57 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 43 | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 102 | 4127 | None | 36 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -44 | 20 | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 4127 | None | 36 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -44 | 20 | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 4127 | None | 36 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -44 | 20 | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969.0 | 4127 | None | 36 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -44 | 20 | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 4127 | None | 36 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -44 | 20 | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 4127 | None | 36 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -44 | 20 | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 11671467 | 220232 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | Drug Central | 580 | 10 | 4 | 12 | 3.1 | COC1=CC(NC2=NC(NC3=CC=C4OC(C)(C)C(=O)N(COP(O)(O)=O)C4=N3)=C(F)C=N2)=CC(OC)=C1OC | None | |||
| 10255 | 98384 | None | 39 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 4786 | 2 | Drug Central | 213 | 4 | 3 | 3 | 0.3 | C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O | None | |||
| 44338126 | 98384 | None | 39 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 4786 | 2 | Drug Central | 213 | 4 | 3 | 3 | 0.3 | C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O | None | |||
| CHEMBL275040 | 98384 | None | 39 | Human | Functional | pIC50 | = | 8.2 | 8.2 | 4786 | 2 | Drug Central | 213 | 4 | 3 | 3 | 0.3 | C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O | None | |||
| 2284 | 206531 | None | 76 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 13 | 3 | Drug Central | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | None | |||
| 2284.0 | 206531 | None | 76 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 13 | 3 | Drug Central | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | None | |||
| CHEMBL701 | 206531 | None | 76 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 13 | 3 | Drug Central | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | None | |||
| DB00181 | 206531 | None | 76 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 13 | 3 | Drug Central | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | None | |||
| 2200 | 3131 | None | 31 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 10 | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 328 | 3131 | None | 31 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 10 | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 4848 | 3131 | None | 31 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 10 | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 4848.0 | 3131 | None | 31 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 10 | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| CHEMBL9967 | 3131 | None | 31 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 10 | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| DB00670 | 3131 | None | 31 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 3 | 10 | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | |||
| 3016 | 1412 | None | 23 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 281 | 2 | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | |||
| 3364 | 1412 | None | 23 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 281 | 2 | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | |||
| 852 | 1412 | None | 23 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 281 | 2 | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | |||
| CHEMBL12 | 1412 | None | 23 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 281 | 2 | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | |||
| DB00829 | 1412 | None | 23 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 281 | 2 | Drug Central | 284 | 1 | 0 | 2 | 3.2 | Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1 | None | |||
| 1427 | 2013 | None | 42 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -660 | 30 | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 357 | 2013 | None | 42 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -660 | 30 | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 3696 | 2013 | None | 42 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -660 | 30 | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL11 | 2013 | None | 42 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -660 | 30 | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00458 | 2013 | None | 42 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -660 | 30 | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 1524 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 197 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 3822 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 3822.0 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 88 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| CHEMBL51 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| DB12465 | 2181 | None | 61 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 18 | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 2249 | 512 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 18 | 5 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 2249.0 | 512 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 18 | 5 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 255 | 512 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 18 | 5 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 548 | 512 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 18 | 5 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| CHEMBL24 | 512 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 18 | 5 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| DB00335 | 512 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 18 | 5 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 175540 | 119319 | None | 30 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 5 | 3 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| CHEMBL343633 | 119319 | None | 30 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 5 | 3 | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | |||
| 1638 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| 1676 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| 1878 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| 5284596 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| 5284596.0 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| CHEMBL80 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| DB01183 | 2724 | None | 24 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 9 | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | |||
| 1227 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| 2331 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| 3957 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| 4992 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| 4992.0 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| CHEMBL511 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| DB06691 | 2489 | None | 32 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 14 | Drug Central | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | None | |||
| 4976 | 206037 | None | 20 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 5 | 15 | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | |||
| CHEMBL668 | 206037 | None | 20 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 5 | 15 | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | |||
| 4209 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893.0 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 3163 | None | 48 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -30 | 17 | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
| 3149 | 12618 | None | 11 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1187011 | 12618 | None | 11 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 6231 | 29778 | None | 23 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 298 | 0 | 1 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1387 | 29778 | None | 23 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 298 | 0 | 1 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 5852 | 2617 | None | 48 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 4 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9931891 | 2617 | None | 48 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 4 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL239226 | 2617 | None | 48 | Human | Binding | pAC50 | = | 5 | 5.0 | - | 4 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 4463 | 199955 | None | 72 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 266 | 1 | 1 | 4 | 2.7 | Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL57 | 199955 | None | 72 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 266 | 1 | 1 | 4 | 2.7 | Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 | 10.1038/s41467-023-40064-9 | |||
| 7099 | 197978 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 209 | 0 | 2 | 3 | 2.6 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL55400 | 197978 | None | 47 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 209 | 0 | 2 | 3 | 2.6 | Nc1ccc2cc3ccc(N)cc3nc2c1 | 10.1038/s41467-023-40064-9 | |||
| 55245 | 18587 | None | 43 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 3 | ChEMBL | 429 | 2 | 1 | 3 | 5.4 | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1276308 | 18587 | None | 43 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 3 | ChEMBL | 429 | 2 | 1 | 3 | 5.4 | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 1547484 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 1547484.0 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 654 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 9072 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL43064 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00568 | 940 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 20 | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5328940 | 100270 | None | 65 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL288441 | 100270 | None | 65 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| 9818306 | 14424 | None | 13 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 314 | 1 | 1 | 3 | 3.8 | CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200430 | 14424 | None | 13 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 314 | 1 | 1 | 3 | 3.8 | CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
| 11213558 | 180546 | None | 57 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 470 | 7 | 3 | 10 | 3.6 | COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL475251 | 180546 | None | 57 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 470 | 7 | 3 | 10 | 3.6 | COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
| 1765 | 3817 | None | 60 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
| 4184 | 3817 | None | 60 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
| 9871419 | 3817 | None | 60 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
| 9871419.0 | 3817 | None | 60 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
| CHEMBL398435 | 3817 | None | 60 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
| DB08816 | 3817 | None | 60 | Human | Binding | pAC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | |||
| 3607 | 36392 | None | 50 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 339 | 12 | 1 | 3 | 4.7 | CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL144673 | 36392 | None | 50 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 339 | 12 | 1 | 3 | 4.7 | CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 | 10.1038/s41467-023-40064-9 | |||
| 100 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| 2637 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| 5452 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL479 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00679 | 3805 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 55 | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| 216237 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 216237.0 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 2226 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 4110 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 443894 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 443894.0 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL344159 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| DB06212 | 3843 | None | 51 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 8 | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 6540478 | 14453 | None | 25 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 369 | 2 | 1 | 4 | 4.7 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200934 | 14453 | None | 25 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 369 | 2 | 1 | 4 | 4.7 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| 25201348 | 55968 | None | 58 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 5819 | 55968 | None | 58 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1624 | 55968 | None | 58 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 445643 | 97442 | None | 46 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL269732 | 97442 | None | 46 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| 135565674 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 213023 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 6445226 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9578572 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL539697 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2799 | 39807 | None | 44 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 364 | 4 | 1 | 1 | 7.0 | CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1476605 | 39807 | None | 44 | Human | Binding | pAC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 364 | 4 | 1 | 1 | 7.0 | CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 16119814 | 56359 | None | 20 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1630575 | 56359 | None | 20 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 1093 | 23 | 16 | 18 | -3.3 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O | 10.1038/s41467-023-40064-9 | |||
| 2274 | 3173 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 4917 | 3173 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 4917.0 | 3173 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 7279 | 3173 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL728 | 3173 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| DB00433 | 3173 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 32 | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 2855 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -53 | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 3322 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -53 | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 5717 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -53 | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 5717.0 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -53 | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL603 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -53 | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| DB00549 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -53 | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 477468 | 175502 | None | 22 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 1269 | 18 | 16 | 23 | -3.9 | CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL457547 | 175502 | None | 22 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 1269 | 18 | 16 | 23 | -3.9 | CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2880 | 98061 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL27289 | 98061 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 54897 | 196925 | None | 42 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 403 | 7 | 0 | 3 | 5.5 | CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL54349 | 196925 | None | 42 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 403 | 7 | 0 | 3 | 5.5 | CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 | 10.1038/s41467-023-40064-9 | |||
| 5280531 | 58121 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 524 | 20 | 0 | 2 | 11.5 | CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1675 | 58121 | None | 47 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 524 | 20 | 0 | 2 | 11.5 | CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C | 10.1038/s41467-023-40064-9 | |||
| 1155 | 1629 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| 3343 | 1629 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| 557 | 1629 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL32800 | 1629 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| DB01288 | 1629 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 5 | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4743867 | 216518 | None | 10 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||||
| 1890 | 2759 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 4449 | 2759 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 7247 | 2759 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL623 | 2759 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01149 | 2759 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 26 | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 4659569 | 22338 | None | 65 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1324 | 22338 | None | 65 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 273 | 3 | 2 | 5 | 2.5 | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 71731823 | 111768 | None | 45 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 406 | 0 | 1 | 7 | 2.8 | C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3286830 | 111768 | None | 45 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 406 | 0 | 1 | 7 | 2.8 | C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 | 10.1038/s41467-023-40064-9 | |||
| 3292 | 8623 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 204 | 2 | 1 | 2 | 1.3 | CCN1C(=O)NC(c2ccccc2)C1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1095 | 8623 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 204 | 2 | 1 | 2 | 1.3 | CCN1C(=O)NC(c2ccccc2)C1=O | 10.1038/s41467-023-40064-9 | |||
| 5288783 | 14438 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 412 | 5 | 3 | 3 | 5.1 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200666 | 14438 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 412 | 5 | 3 | 3 | 5.1 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 610479 | 15507 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 261 | 3 | 2 | 2 | 4.1 | Cc1c(Cl)cccc1Nc1ccccc1C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL121626 | 15507 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 261 | 3 | 2 | 2 | 4.1 | Cc1c(Cl)cccc1Nc1ccccc1C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 5282181 | 53539 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 400 | 6 | 2 | 2 | 6.6 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1601669 | 53539 | None | 37 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 400 | 6 | 2 | 2 | 6.6 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 67462786 | 120581 | None | 50 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 446 | 9 | 1 | 8 | 4.2 | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3545376 | 120581 | None | 50 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 446 | 9 | 1 | 8 | 4.2 | COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 | 10.1038/s41467-023-40064-9 | |||
| 55483 | 207555 | None | 29 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL77622 | 207555 | None | 29 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 356 | 13 | 4 | 4 | 3.6 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | 10.1038/s41467-023-40064-9 | |||
| 54260 | 186945 | None | 28 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 317 | 6 | 0 | 2 | 4.7 | CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL489411 | 186945 | None | 28 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 317 | 6 | 0 | 2 | 4.7 | CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 1054 | 2917 | None | 55 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| 3400 | 2917 | None | 55 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| 445639 | 2917 | None | 55 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL8659 | 2917 | None | 55 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| 54454 | 5260 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1064 | 5260 | None | 48 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 11057 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -3 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 3468 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -3 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL459265 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -3 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL64894 | 176253 | None | 16 | Human | Binding | pAC50 | = | 5.9 | 5.9 | -3 | 20 | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 10180 | 98923 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL279014 | 98923 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | |||
| 135400189 | 44589 | None | 42 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 488 | 8 | 1 | 8 | 2.1 | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1520 | 44589 | None | 42 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 488 | 8 | 1 | 8 | 2.1 | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | 10.1038/s41467-023-40064-9 | |||
| 4150 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 5288 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 644019 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 644019.0 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL190461 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| DB09061 | 788 | None | 26 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 12 | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 8730 | 198347 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 90657408 | 198347 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL559 | 198347 | None | 44 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 24765256 | 173401 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 757 | 6 | 3 | 9 | 3.9 | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4525964 | 173401 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 757 | 6 | 3 | 9 | 3.9 | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | 10.1038/s41467-023-40064-9 | |||
| 9823820 | 19173 | None | 64 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 426 | 6 | 3 | 5 | 4.1 | COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1289601 | 19173 | None | 64 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 426 | 6 | 3 | 5 | 4.1 | COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O | 10.1038/s41467-023-40064-9 | |||
| 12628 | 105688 | None | 25 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 296 | 3 | 2 | 3 | 2.3 | Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL312394 | 105688 | None | 25 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 296 | 3 | 2 | 3 | 2.3 | Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 57363 | 206695 | None | 54 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 372 | 1 | 2 | 2 | 3.8 | CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL710 | 206695 | None | 54 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 372 | 1 | 2 | 2 | 3.8 | CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
| 3760 | 50314 | None | 27 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1571863 | 50314 | None | 27 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 5284535 | 59128 | None | 24 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 392 | 2 | 3 | 5 | 1.9 | C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1697832 | 59128 | None | 24 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 392 | 2 | 3 | 5 | 1.9 | C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | 10.1038/s41467-023-40064-9 | |||
| 6436173 | 55132 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1617 | 55132 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 2351 | 4301 | None | 35 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1008 | 4301 | None | 35 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1257078 | 4301 | None | 35 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| 5353627 | 84575 | None | 8 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 411 | 8 | 3 | 4 | 4.6 | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2220442 | 84575 | None | 8 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 411 | 8 | 3 | 4 | 4.6 | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 4236 | 28104 | None | 33 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 273 | 5 | 1 | 2 | 2.0 | NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1373 | 28104 | None | 33 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 273 | 5 | 1 | 2 | 2.0 | NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 5991 | 206377 | None | 46 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -50 | 5 | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL691 | 206377 | None | 46 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -50 | 5 | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 4055 | 201689 | None | 70 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 172 | 0 | 0 | 2 | 2.0 | CC1=CC(=O)c2ccccc2C1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL590 | 201689 | None | 70 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 172 | 0 | 0 | 2 | 2.0 | CC1=CC(=O)c2ccccc2C1=O | 10.1038/s41467-023-40064-9 | |||
| 10124 | 78304 | None | 14 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 255 | 2 | 2 | 6 | 1.1 | Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107139 | 78304 | None | 14 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 255 | 2 | 2 | 6 | 1.1 | Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 6436135 | 99626 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL283754 | 99626 | None | 31 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 412 | 9 | 2 | 4 | 5.8 | CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 11304743 | 78326 | None | 65 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 422 | 4 | 2 | 9 | 2.4 | COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107834 | 78326 | None | 65 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 422 | 4 | 2 | 9 | 2.4 | COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N | 10.1038/s41467-023-40064-9 | |||
| 667492 | 43919 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 234 | 1 | 2 | 3 | 0.2 | CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1512080 | 43919 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 234 | 1 | 2 | 3 | 0.2 | CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 3474 | 38112 | None | 43 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL146095 | 38112 | None | 43 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | |||
| 196122 | 112651 | None | 39 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 478 | 13 | 1 | 6 | 4.5 | CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3301681 | 112651 | None | 39 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 478 | 13 | 1 | 6 | 4.5 | CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O | 10.1038/s41467-023-40064-9 | |||
| 4195 | 14477 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | |||
| 4195.0 | 14477 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201212 | 14477 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | |||
| DB00211 | 14477 | None | 34 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 254 | 6 | 3 | 5 | -0.2 | COc1ccc(OC)c(C(O)CNC(=O)CN)c1 | 10.1038/s41467-023-40064-9 | |||
| 3926 | 209699 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL92870 | 209699 | None | 30 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 102 | 4127 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 50 | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 3659 | 4127 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 50 | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 8969 | 4127 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 50 | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 8969.0 | 4127 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 50 | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL15245 | 4127 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 50 | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| DB01392 | 4127 | None | 36 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 50 | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1038/s41467-023-40064-9 | |||
| 49806720 | 60100 | None | 66 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 482 | 3 | 1 | 5 | 4.8 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1738797 | 60100 | None | 66 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 482 | 3 | 1 | 5 | 4.8 | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | 10.1038/s41467-023-40064-9 | |||
| 4746 | 207349 | None | 24 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1334033 | 207349 | None | 24 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL75880 | 207349 | None | 24 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 191 | 403 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 201 | 403 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 2170 | 403 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 2170.0 | 403 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1113 | 403 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| DB00543 | 403 | None | 60 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 28 | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 180 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 200 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2160 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2160.0 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL629 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00321 | 401 | None | 38 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 1016 | 3747 | None | 45 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -21 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2561 | 3747 | None | 45 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -21 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2733526 | 3747 | None | 45 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -21 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5384 | 3747 | None | 45 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -21 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL83 | 3747 | None | 45 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -21 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00675 | 3747 | None | 45 | Human | Binding | pAC50 | = | 4.9 | 4.9 | -21 | 35 | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 135412795 | 44765 | None | 17 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 296 | 1 | 1 | 3 | 3.4 | O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1521495 | 44765 | None | 17 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 296 | 1 | 1 | 3 | 3.4 | O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1 | 10.1038/s41467-023-40064-9 | |||
| 60663 | 175773 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1421212 | 175773 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1534525 | 175773 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL45816 | 175773 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | |||
| 124246 | 78318 | None | 60 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 374 | 6 | 2 | 6 | 2.5 | CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107455 | 78318 | None | 60 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 374 | 6 | 2 | 6 | 2.5 | CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 38945 | 60836 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 192 | 2 | 2 | 2 | 1.6 | Cc1cccc(C)c1NC(=O)C(C)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1762 | 60836 | None | 44 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 192 | 2 | 2 | 2 | 1.6 | Cc1cccc(C)c1NC(=O)C(C)N | 10.1038/s41467-023-40064-9 | |||
| 5472 | 208276 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 3 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| 5472.0 | 208276 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 3 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1717 | 208276 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 3 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL833 | 208276 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 3 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| DB00208 | 208276 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 3 | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| 3117 | 210300 | None | 60 | Human | Binding | pAC50 | = | 5.8 | 5.8 | 1 | 16 | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL964 | 210300 | None | 60 | Human | Binding | pAC50 | = | 5.8 | 5.8 | 1 | 16 | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | 10.1038/s41467-023-40064-9 | |||
| 119584 | 2595 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | 10.1038/s41467-023-40064-9 | |||
| 119584.0 | 2595 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | 10.1038/s41467-023-40064-9 | |||
| 1848 | 2595 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | 10.1038/s41467-023-40064-9 | |||
| 242 | 2595 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL60889 | 2595 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | 10.1038/s41467-023-40064-9 | |||
| DB11675 | 2595 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 421 | 7 | 2 | 5 | 3.1 | CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl | 10.1038/s41467-023-40064-9 | |||
| 4908 | 188914 | None | 51 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL506 | 188914 | None | 51 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 259 | 6 | 2 | 4 | 2.8 | COc1cc(NC(C)CCCN)c2ncccc2c1 | 10.1038/s41467-023-40064-9 | |||
| 2200 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2200.0 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1256819 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1305 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| DB08799 | 20210 | None | 38 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5280795 | 4831 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 384 | 6 | 1 | 1 | 7.6 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1042 | 4831 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 384 | 6 | 1 | 1 | 7.6 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | |||
| 71226662 | 133575 | None | 53 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 465 | 4 | 2 | 7 | 3.3 | CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3707348 | 133575 | None | 53 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 465 | 4 | 2 | 7 | 3.3 | CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12 | 10.1038/s41467-023-40064-9 | |||
| 60151560 | 167540 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 439 | 11 | 1 | 5 | 5.3 | CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4297530 | 167540 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 439 | 11 | 1 | 5 | 5.3 | CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 1385580 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615.0 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL13828 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB12877 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 16678941 | 78182 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 452 | 5 | 2 | 5 | 4.7 | Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103870 | 78182 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 452 | 5 | 2 | 5 | 4.7 | Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1 | 10.1038/s41467-023-40064-9 | |||
| 3401 | 78314 | None | 52 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 346 | 4 | 0 | 2 | 5.0 | Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107430 | 78314 | None | 52 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 346 | 4 | 0 | 2 | 5.0 | Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4041 | 99565 | None | 9 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 270 | 1 | 0 | 2 | 3.6 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL28333 | 99565 | None | 9 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 270 | 1 | 0 | 2 | 3.6 | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 | 10.1038/s41467-023-40064-9 | |||
| 107771 | 120312 | None | 42 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL35228 | 120312 | None | 42 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | |||
| 5311217 | 176845 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 455 | 7 | 1 | 7 | 4.4 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL460291 | 176845 | None | 55 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 455 | 7 | 1 | 7 | 4.4 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| 1212 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -371 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 204 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -371 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3372 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -371 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3372.0 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -371 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL726 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -371 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB00623 | 1662 | None | 37 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -371 | 65 | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 135409453 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 226 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL76370 | 3773 | None | 26 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 208898 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
| 208898.0 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL184412 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
| DB04855 | 66220 | None | 50 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2600 | 3779 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| 2608 | 3779 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| 5405 | 3779 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL17157 | 3779 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| DB00342 | 3779 | None | 53 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| 5022 | 1651 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 6918248 | 1651 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 6918248.0 | 1651 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 8182 | 1651 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL231068 | 1651 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB04908 | 1651 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 9 | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 9801 | 91619 | None | 25 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL24072 | 91619 | None | 25 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 329 | 8 | 1 | 1 | 5.4 | CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL508338 | 189074 | None | 0 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -66 | 6 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 3339 | 206099 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -2 | 5 | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL672 | 206099 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | -2 | 5 | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 8550 | 14429 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 578 | 7 | 1 | 9 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200515 | 14429 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 578 | 7 | 1 | 9 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | |||
| 3673 | 78268 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 297 | 6 | 0 | 3 | 4.1 | CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2106254 | 78268 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 297 | 6 | 0 | 3 | 4.1 | CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2142 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| 4920903 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| 502 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| 5775 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| 5775.0 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL597 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| DB00692 | 3096 | None | 36 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 36 | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1038/s41467-023-40064-9 | |||
| 1935 | 3734 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2551 | 3734 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 6687 | 3734 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL95 | 3734 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00382 | 3734 | None | 62 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2435 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 60149 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 98 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL12713 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| DB06144 | 3590 | None | 59 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 48 | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 47472 | 19444 | None | 41 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 410 | 7 | 0 | 3 | 6.6 | Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1295 | 19444 | None | 41 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 410 | 7 | 0 | 3 | 6.6 | Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 65863 | 14471 | None | 40 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201196 | 14471 | None | 40 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 441336 | 10257 | None | 47 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 520 | 4 | 1 | 6 | 4.9 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1161 | 10257 | None | 47 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 520 | 4 | 1 | 6 | 4.9 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl | 10.1038/s41467-023-40064-9 | |||
| 92727 | 207010 | None | 50 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL729 | 207010 | None | 50 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 1909 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -1 | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
| 2559 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -1 | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
| 4474 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -1 | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1484 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -1 | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3302409 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -1 | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
| DB00622 | 2822 | None | 46 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -1 | 4 | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | |||
| 2844 | 283 | None | 61 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -4 | 8 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1038/s41467-023-40064-9 | |||
| 60961 | 283 | None | 61 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -4 | 8 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1038/s41467-023-40064-9 | |||
| 60961.0 | 283 | None | 61 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -4 | 8 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1038/s41467-023-40064-9 | |||
| 90 | 283 | None | 61 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -4 | 8 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL477 | 283 | None | 61 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -4 | 8 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1038/s41467-023-40064-9 | |||
| DB00640 | 283 | None | 61 | Human | Binding | pAC50 | = | 5.8 | 5.8 | -4 | 8 | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1038/s41467-023-40064-9 | |||
| 3949 | 100668 | None | 35 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL29188 | 100668 | None | 35 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 468 | 8 | 0 | 5 | 4.9 | COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC | 10.1038/s41467-023-40064-9 | |||
| 26248 | 161633 | None | 72 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL41286 | 161633 | None | 72 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 368 | 3 | 1 | 7 | 2.0 | CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O | 10.1038/s41467-023-40064-9 | |||
| 10034073 | 17168 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 1056 | 13 | 7 | 18 | 6.2 | CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1255800 | 17168 | None | 30 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 1056 | 13 | 7 | 18 | 6.2 | CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 34755 | 7735 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 398 | 7 | 4 | 11 | -3.3 | C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1088977 | 7735 | None | 43 | Human | Binding | pAC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 398 | 7 | 4 | 11 | -3.3 | C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 3547 | 141460 | None | 43 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL38380 | 141460 | None | 43 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL541388 | 141460 | None | 43 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1038/s41467-023-40064-9 | |||
| 3598 | 187927 | None | 45 | Human | Binding | pAC50 | = | 5.8 | 5.8 | 1 | 7 | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL496 | 187927 | None | 45 | Human | Binding | pAC50 | = | 5.8 | 5.8 | 1 | 7 | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 54685524 | 78269 | None | 25 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 408 | 4 | 2 | 8 | 3.0 | CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2106261 | 78269 | None | 25 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 408 | 4 | 2 | 8 | 3.0 | CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O | 10.1038/s41467-023-40064-9 | |||
| 2583 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 592 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999.0 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1017 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00966 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1440 | 2027 | None | 69 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 1909 | 2027 | None | 69 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 3715 | 2027 | None | 69 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL6 | 2027 | None | 69 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB00328 | 2027 | None | 69 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 5770 | 207516 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL772 | 207516 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | |||
| 3823 | 50235 | None | 31 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 11 | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 76973198 | 50235 | None | 31 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 11 | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL157101 | 50235 | None | 31 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 11 | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 1028 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 139148732 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 479 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 5816 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 5816.0 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL679 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| DB00668 | 291 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 29 | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 42611257 | 16381 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 489 | 7 | 2 | 4 | 5.5 | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1229517 | 16381 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 489 | 7 | 2 | 4 | 5.5 | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F | 10.1038/s41467-023-40064-9 | |||
| 3599 | 16886 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 407 | 20 | 0 | 4 | 5.7 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL125 | 16886 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 407 | 20 | 0 | 4 | 5.7 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
| 9831415 | 77962 | None | 39 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 330 | 14 | 0 | 2 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2095209 | 77962 | None | 39 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 330 | 14 | 0 | 2 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC | 10.1038/s41467-023-40064-9 | |||
| 3947 | 208853 | None | 39 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 15 | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL87708 | 208853 | None | 39 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 15 | ChEMBL | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2754 | 207829 | None | 60 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 369 | 7 | 1 | 6 | 3.5 | O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL799 | 207829 | None | 60 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 369 | 7 | 1 | 6 | 3.5 | O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 | 10.1038/s41467-023-40064-9 | |||
| 119182 | 60427 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 303 | 2 | 3 | 8 | -0.3 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1750 | 60427 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 303 | 2 | 3 | 8 | -0.3 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F | 10.1038/s41467-023-40064-9 | |||
| 2583 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 592 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999.0 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1017 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00966 | 3776 | None | 69 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 5735 | 25939 | None | 32 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 388 | 2 | 0 | 7 | 1.6 | CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL135400 | 25939 | None | 32 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 388 | 2 | 0 | 7 | 1.6 | CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 169870 | 14446 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 428 | 6 | 0 | 4 | 6.0 | CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200848 | 14446 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 428 | 6 | 0 | 4 | 6.0 | CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 8609 | 14449 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 229 | 2 | 2 | 4 | 2.2 | Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200868 | 14449 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 229 | 2 | 2 | 4 | 2.2 | Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| 24812758 | 75829 | None | 54 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 444 | 5 | 4 | 6 | 3.0 | Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2048484 | 75829 | None | 54 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 444 | 5 | 4 | 6 | 3.0 | Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 | 10.1038/s41467-023-40064-9 | |||
| 5090 | 15568 | None | 65 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 31 | ChEMBL | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL122 | 15568 | None | 65 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 31 | ChEMBL | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2585 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 2585.0 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 522 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 551 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL723 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| DB01136 | 803 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 392622 | 56328 | None | 57 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL163 | 56328 | None | 57 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| 216239 | 23803 | None | 71 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200485 | 23803 | None | 71 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1336 | 23803 | None | 71 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| 2247 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -162 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 249 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -162 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2603 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -162 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL296419 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -162 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00637 | 505 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | -162 | 41 | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 5568 | 199956 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
| 5568.0 | 199956 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
| 66069 | 199956 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201102 | 199956 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL570 | 199956 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
| DB00508 | 199956 | None | 21 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 5 | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | |||
| 118422671 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 1887 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 189562 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 189562.0 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 71301 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 71301.0 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 7246 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 9844194 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 9844194.0 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2365658 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3526436 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL434394 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| DB04861 | 2757 | None | 41 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 4 | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 4452 | 2762 | None | 13 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 983 | 2762 | None | 13 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL20734 | 2762 | None | 13 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 18 | ChEMBL | 387 | 6 | 2 | 4 | 3.8 | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 24821094 | 67115 | None | 58 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1873475 | 67115 | None | 58 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4743867 | 216518 | None | 10 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||||
| 2540 | 4402 | None | 68 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -1 | 4 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1014 | 4402 | None | 68 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -1 | 4 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 10311 | 57517 | None | 24 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 398 | 4 | 4 | 9 | 0.3 | Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL166 | 57517 | None | 24 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 398 | 4 | 4 | 9 | 0.3 | Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1 | 10.1038/s41467-023-40064-9 | |||
| 31101 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 31101.0 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 35 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 403 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL493 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| DB01200 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 2028 | 2979 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | |||
| 359 | 2979 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | |||
| 4634 | 2979 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | |||
| 4634.0 | 2979 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1231 | 2979 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | |||
| DB01062 | 2979 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 11 | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | |||
| 10230 | 120815 | None | 34 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 190 | 0 | 4 | 4 | -1.0 | N/N=c1\[nH][nH]/c(=N\N)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL35505 | 120815 | None | 34 | Human | Binding | pAC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 190 | 0 | 4 | 4 | -1.0 | N/N=c1\[nH][nH]/c(=N\N)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| 6918178 | 14450 | None | 36 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 484 | 4 | 1 | 5 | 4.1 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200908 | 14450 | None | 36 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 484 | 4 | 1 | 5 | 4.1 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 2162 | 41527 | None | 58 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 6 | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1491 | 41527 | None | 58 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 6 | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
| 42890 | 9427 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1117 | 9427 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | |||
| 2787 | 67572 | None | 57 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 468 | 10 | 2 | 4 | 6.2 | CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1897738 | 67572 | None | 57 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 468 | 10 | 2 | 4 | 6.2 | CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 4640 | 78295 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107011 | 78295 | None | 23 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
| 65769 | 154520 | None | 7 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 498 | 13 | 1 | 6 | 5.0 | CCCO[C@H]1[C@@H]([C@@H](COCc2ccc(Cl)cc2)OCc2ccc(Cl)cc2)OC(OCC)[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3989839 | 154520 | None | 7 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 498 | 13 | 1 | 6 | 5.0 | CCCO[C@H]1[C@@H]([C@@H](COCc2ccc(Cl)cc2)OCc2ccc(Cl)cc2)OC(OCC)[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 1549120 | 198942 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56337 | 198942 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5351322 | 94844 | None | 30 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL25336 | 94844 | None | 30 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 398 | 4 | 4 | 8 | 1.8 | C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| 6918456 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
| 6918456.0 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201772 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
| DB06209 | 14521 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1038/s41467-023-40064-9 | |||
| 4494 | 190296 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 385 | 5 | 1 | 8 | 2.5 | COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL517427 | 190296 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 385 | 5 | 1 | 8 | 2.5 | COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 37907 | 35407 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 292 | 4 | 0 | 4 | 3.7 | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1437764 | 35407 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 292 | 4 | 0 | 4 | 3.7 | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 3397 | 207946 | None | 70 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL806 | 207946 | None | 70 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 2 | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | |||
| 1499 | 2091 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | |||
| 3779 | 2091 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | |||
| 3779.0 | 2091 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | |||
| 536 | 2091 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL434 | 2091 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | |||
| DB01064 | 2091 | None | 34 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 17 | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1038/s41467-023-40064-9 | |||
| 3784 | 57188 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 371 | 4 | 1 | 8 | 2.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1648 | 57188 | None | 67 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 371 | 4 | 1 | 8 | 2.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 | 10.1038/s41467-023-40064-9 | |||
| 2726 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2726.0 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 621 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 83 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL71 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00477 | 919 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 72 | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 7547 | 5506 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 314 | 2 | 2 | 1 | 5.3 | O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1076347 | 5506 | None | 61 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 314 | 2 | 2 | 1 | 5.3 | O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 11511120 | 78425 | None | 58 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2110732 | 78425 | None | 58 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 53276 | 95087 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 304 | 5 | 3 | 5 | 3.0 | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL255044 | 95087 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 304 | 5 | 3 | 5 | 3.0 | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N | 10.1038/s41467-023-40064-9 | |||
| 4413 | 98126 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL273264 | 98126 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9324 | 9240 | None | 40 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL110691 | 9240 | None | 40 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 5284616 | 161721 | None | 39 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL413 | 161721 | None | 39 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | |||
| 2398 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2801 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2801.0 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 701 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL415 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB01242 | 954 | None | 43 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 28 | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 5625 | 202124 | None | 46 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 456 | 6 | 3 | 6 | 2.7 | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL593 | 202124 | None | 46 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 456 | 6 | 3 | 6 | 2.7 | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3062316 | 33583 | None | 70 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1421 | 33583 | None | 70 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL5416410 | 33583 | None | 70 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 487 | 7 | 3 | 9 | 3.3 | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | 10.1038/s41467-023-40064-9 | |||
| 2327 | 8844 | None | 30 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 257 | 5 | 7 | 7 | -1.8 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1096979 | 8844 | None | 30 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 257 | 5 | 7 | 7 | -1.8 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1255778 | 8844 | None | 30 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 257 | 5 | 7 | 7 | -1.8 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 10.1038/s41467-023-40064-9 | |||
| 3778 | 99536 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 230 | 2 | 0 | 3 | 2.6 | Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL28318 | 99536 | None | 55 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 230 | 2 | 0 | 3 | 2.6 | Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C | 10.1038/s41467-023-40064-9 | |||
| 6917906 | 67795 | None | 17 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 887 | 35 | 10 | 12 | 1.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1908331 | 67795 | None | 17 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 887 | 35 | 10 | 12 | 1.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 11976 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| 667467 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| 667467.0 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL908 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01239 | 920 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 23 | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| 5281087 | 16619 | None | 24 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 216 | 2 | 1 | 3 | 2.1 | CN1CCCN=C1/C=C/c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1240977 | 16619 | None | 24 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 216 | 2 | 1 | 3 | 2.1 | CN1CCCN=C1/C=C/c1cccc(O)c1 | 10.1038/s41467-023-40064-9 | |||
| 65981 | 18461 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 452 | 10 | 2 | 4 | 5.2 | CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1272 | 18461 | None | 59 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 452 | 10 | 2 | 4 | 5.2 | CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 27812 | 67012 | None | 31 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 308 | 1 | 1 | 2 | 3.7 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1868702 | 67012 | None | 31 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 308 | 1 | 1 | 2 | 3.7 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| 5330286 | 67592 | None | 57 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 447 | 5 | 2 | 9 | 3.0 | CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL189963 | 67592 | None | 57 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 447 | 5 | 2 | 9 | 3.0 | CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O | 10.1038/s41467-023-40064-9 | |||
| 5029 | 15552 | None | 54 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -19 | 4 | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1219 | 15552 | None | 54 | Human | Binding | pAC50 | = | 5.7 | 5.7 | -19 | 4 | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | |||
| 65948 | 18563 | None | 62 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1275868 | 18563 | None | 62 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | |||
| 9064 | 105275 | None | 56 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 290 | 1 | 5 | 6 | 1.5 | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL311498 | 105275 | None | 56 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 290 | 1 | 5 | 6 | 1.5 | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 | 10.1038/s41467-023-40064-9 | |||
| 6314185 | 191515 | None | 17 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 353 | 7 | 1 | 2 | 5.2 | CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL519260 | 191515 | None | 17 | Human | Binding | pAC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 353 | 7 | 1 | 2 | 5.2 | CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C | 10.1038/s41467-023-40064-9 | |||
| 34040 | 28093 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
| 34040.0 | 28093 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1372950 | 28093 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
| DB00699 | 28093 | None | 52 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | |||
| 43815 | 187026 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 24 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1708 | 187026 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 24 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL490 | 187026 | None | 38 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 24 | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | |||
| 1960 | 2857 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 27 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 439260 | 2857 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 27 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 439260.0 | 2857 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 27 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 505 | 2857 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 27 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1437 | 2857 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 27 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| DB00368 | 2857 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 27 | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1038/s41467-023-40064-9 | |||
| 36811 | 1454 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| 36811.0 | 1454 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| 535 | 1454 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| 937 | 1454 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL926 | 1454 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| DB00841 | 1454 | None | 27 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | 10.1038/s41467-023-40064-9 | |||
| 16220172 | 73068 | None | 63 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2010601 | 73068 | None | 63 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| 49846579 | 106225 | None | 66 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 867 | 13 | 3 | 11 | 8.7 | CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3137309 | 106225 | None | 66 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 867 | 13 | 3 | 11 | 8.7 | CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 | 10.1038/s41467-023-40064-9 | |||
| 3081361 | 93987 | None | 66 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL24828 | 93987 | None | 66 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 474 | 5 | 1 | 5 | 4.4 | COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 | 10.1038/s41467-023-40064-9 | |||
| 31508 | 97271 | None | 31 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 278 | 2 | 0 | 3 | 4.0 | Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL268501 | 97271 | None | 31 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 278 | 2 | 0 | 3 | 4.0 | Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1 | 10.1038/s41467-023-40064-9 | |||
| 447715 | 199383 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 420 | 5 | 3 | 3 | 5.1 | CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL566315 | 199383 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 420 | 5 | 3 | 3 | 5.1 | CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 2153 | 3800 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -35 | 14 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1038/s41467-023-40064-9 | |||
| 2153.0 | 3800 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -35 | 14 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1038/s41467-023-40064-9 | |||
| 2620 | 3800 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -35 | 14 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1038/s41467-023-40064-9 | |||
| 413 | 3800 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -35 | 14 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL190 | 3800 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -35 | 14 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1038/s41467-023-40064-9 | |||
| DB00277 | 3800 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -35 | 14 | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1038/s41467-023-40064-9 | |||
| 4497 | 34413 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -2 | 4 | ChEMBL | 418 | 8 | 1 | 8 | 3.0 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1428 | 34413 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -2 | 4 | ChEMBL | 418 | 8 | 1 | 8 | 3.0 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 444036 | 39550 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 500 | 4 | 1 | 6 | 4.4 | CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1473 | 39550 | None | 45 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 500 | 4 | 1 | 6 | 4.4 | CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 68617 | 207985 | None | 33 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1709 | 207985 | None | 33 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL809 | 207985 | None | 33 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 25 | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 12431 | 602 | None | 70 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 216 | 1 | 0 | 4 | 2.5 | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 10.1038/s41467-023-40064-9 | |||
| 2355 | 602 | None | 70 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 216 | 1 | 0 | 4 | 2.5 | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL24171 | 602 | None | 70 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 216 | 1 | 0 | 4 | 2.5 | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 10.1038/s41467-023-40064-9 | |||
| DB12216 | 602 | None | 70 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 216 | 1 | 0 | 4 | 2.5 | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | 10.1038/s41467-023-40064-9 | |||
| 1548955 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2800 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2355051 | 88615 | None | 14 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 18 | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 119607 | 208661 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL865 | 208661 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 28 | ChEMBL | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4882 | 2099 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -107 | 6 | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1038/s41467-023-40064-9 | |||
| 5311037 | 2099 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -107 | 6 | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1038/s41467-023-40064-9 | |||
| 5311037.0 | 2099 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -107 | 6 | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1038/s41467-023-40064-9 | |||
| 5608 | 2099 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -107 | 6 | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL431770 | 2099 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -107 | 6 | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1038/s41467-023-40064-9 | |||
| DB11757 | 2099 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -107 | 6 | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1038/s41467-023-40064-9 | |||
| 2407 | 3372 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 59227 | 3372 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 59227.0 | 3372 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 941 | 3372 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1303 | 3372 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| DB05271 | 3372 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 315 | 6 | 1 | 3 | 4.3 | CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 21800 | 14419 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 504 | 6 | 1 | 7 | 3.8 | CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200384 | 14419 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 504 | 6 | 1 | 7 | 3.8 | CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 51039 | 206223 | None | 48 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 367 | 4 | 3 | 5 | 0.6 | N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 7048572 | 206223 | None | 48 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 367 | 4 | 3 | 5 | 0.6 | N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL680 | 206223 | None | 48 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 367 | 4 | 3 | 5 | 0.6 | N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 10077130 | 4007 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 492 | 5 | 1 | 5 | 5.6 | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C | 10.1038/s41467-023-40064-9 | |||
| 10077130.0 | 4007 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 492 | 5 | 1 | 5 | 5.6 | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C | 10.1038/s41467-023-40064-9 | |||
| 4047 | 4007 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 492 | 5 | 1 | 5 | 5.6 | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C | 10.1038/s41467-023-40064-9 | |||
| 4870 | 4007 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 492 | 5 | 1 | 5 | 5.6 | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL493982 | 4007 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 492 | 5 | 1 | 5 | 5.6 | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C | 10.1038/s41467-023-40064-9 | |||
| DB09030 | 4007 | None | 47 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 492 | 5 | 1 | 5 | 5.6 | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C | 10.1038/s41467-023-40064-9 | |||
| 92727 | 207010 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL729 | 207010 | None | 50 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 2351 | 3286 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 2820 | 3286 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 5035 | 3286 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL81 | 3286 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| DB00481 | 3286 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 21 | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 2898 | 32659 | None | 43 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 364 | 4 | 0 | 4 | 5.3 | CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL141305 | 32659 | None | 43 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 364 | 4 | 0 | 4 | 5.3 | CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 3108 | 209745 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL932 | 209745 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | 10.1038/s41467-023-40064-9 | |||
| 103 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2875 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 5736 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL285802 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB09225 | 4153 | None | 44 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 53 | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 54697325 | 58996 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 556 | 6 | 6 | 10 | 1.3 | CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1689772 | 58996 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 556 | 6 | 6 | 10 | 1.3 | CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 10.1038/s41467-023-40064-9 | |||
| 176870 | 197941 | None | 62 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 393 | 10 | 1 | 7 | 3.4 | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL553 | 197941 | None | 62 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 393 | 10 | 1 | 7 | 3.4 | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | 10.1038/s41467-023-40064-9 | |||
| 4495 | 198991 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 30 | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56367 | 198991 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 30 | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 4066 | 207084 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| 4066.0 | 207084 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL73451 | 207084 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| DB01071 | 207084 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 7 | ChEMBL | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | 10.1038/s41467-023-40064-9 | |||
| 123631 | 209859 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 446 | 8 | 1 | 7 | 4.3 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL939 | 209859 | None | 72 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 446 | 8 | 1 | 7 | 4.3 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
| 11167602 | 70484 | None | 73 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1946170 | 70484 | None | 73 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| 448537 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -16 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL411 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -16 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 3174 | 1570 | None | 51 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 302 | 13 | 1 | 1 | 6.0 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| 3362 | 1570 | None | 51 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 302 | 13 | 1 | 1 | 6.0 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| 446284 | 1570 | None | 51 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 302 | 13 | 1 | 1 | 6.0 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL460026 | 1570 | None | 51 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 302 | 13 | 1 | 1 | 6.0 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB00159 | 1570 | None | 51 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 302 | 13 | 1 | 1 | 6.0 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O | 10.1038/s41467-023-40064-9 | |||
| 71743 | 78296 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 353 | 3 | 0 | 4 | 3.6 | O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107014 | 78296 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 353 | 3 | 0 | 4 | 3.6 | O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| 176 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -5 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2157 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -5 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2157.0 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -5 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2566 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -5 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL633 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -5 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01118 | 398 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -5 | 31 | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 4822 | 45046 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL152408 | 45046 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | |||
| 31640 | 210407 | None | 7 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 352 | 2 | 0 | 2 | 4.1 | O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL970 | 210407 | None | 7 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 352 | 2 | 0 | 2 | 4.1 | O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3151 | 1462 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 26 | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 3151.0 | 1462 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 26 | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 945 | 1462 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 26 | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 965 | 1462 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 26 | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL219916 | 1462 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 26 | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01184 | 1462 | None | 65 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 26 | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 10096344 | 89628 | None | 56 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL237500 | 89628 | None | 56 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
| 1193 | 1656 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2447 | 1656 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3371 | 1656 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL23588 | 1656 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB02266 | 1656 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 281 | 3 | 2 | 2 | 4.1 | OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 1712095 | 197848 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 397 | 9 | 1 | 5 | 4.9 | CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL551978 | 197848 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 397 | 9 | 1 | 5 | 4.9 | CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC | 10.1038/s41467-023-40064-9 | |||
| 5284616 | 161721 | None | 39 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL413 | 161721 | None | 39 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | |||
| 55245 | 18587 | None | 43 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 3 | ChEMBL | 429 | 2 | 1 | 3 | 5.4 | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1276308 | 18587 | None | 43 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 3 | ChEMBL | 429 | 2 | 1 | 3 | 5.4 | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 30323 | 62505 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1563 | 62505 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL178 | 62505 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
| 5770 | 207516 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL772 | 207516 | None | 57 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 10.1038/s41467-023-40064-9 | |||
| 3336 | 95054 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1405922 | 95054 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL254832 | 95054 | None | 22 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 1440 | 2027 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 1909 | 2027 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 3715 | 2027 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL6 | 2027 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| DB00328 | 2027 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 6 | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | |||
| 54686904 | 137957 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 585 | 6 | 7 | 11 | 0.5 | CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL376140 | 137957 | None | 54 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 585 | 6 | 7 | 11 | 0.5 | CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O | 10.1038/s41467-023-40064-9 | |||
| 38103 | 53808 | None | 48 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 349 | 4 | 3 | 5 | 0.3 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | |||
| 40467109 | 53808 | None | 48 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 349 | 4 | 3 | 5 | 0.3 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1604 | 53808 | None | 48 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 349 | 4 | 3 | 5 | 0.3 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1 | 10.1038/s41467-023-40064-9 | |||
| 65709 | 59901 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1729803 | 59901 | None | 35 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 1548943 | 101022 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 2 | ChEMBL | 305 | 9 | 2 | 3 | 3.8 | COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL294199 | 101022 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 2 | ChEMBL | 305 | 9 | 2 | 3 | 3.8 | COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O | 10.1038/s41467-023-40064-9 | |||
| 135398735 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 136262914 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL374478 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 25025298 | 78180 | None | 37 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103855 | 78180 | None | 37 | Human | Binding | pAC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
| 445643 | 97442 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL269732 | 97442 | None | 46 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| 1613 | 2348 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 205 | 2348 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 3964 | 2348 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 3964.0 | 2348 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL831 | 2348 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| DB00408 | 2348 | None | 42 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 44 | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 54585 | 14508 | None | 49 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201346 | 14508 | None | 49 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2442 | 94846 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 374 | 3 | 1 | 2 | 4.6 | CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL253376 | 94846 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 374 | 3 | 1 | 2 | 4.6 | CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 11289 | 14443 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 380 | 6 | 0 | 3 | 5.9 | COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200761 | 14443 | None | 47 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 380 | 6 | 0 | 3 | 5.9 | COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2318 | 154946 | None | 18 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL400599 | 154946 | None | 18 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 351 | 7 | 1 | 3 | 4.1 | CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 64143 | 201320 | None | 42 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 8 | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL584 | 201320 | None | 42 | Human | Binding | pAC50 | = | 5.6 | 5.6 | -1 | 8 | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| 9270 | 14435 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 384 | 2 | 0 | 4 | 4.4 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200624 | 14435 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 384 | 2 | 0 | 4 | 4.4 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 53232 | 188732 | None | 57 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 2 | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL503 | 188732 | None | 57 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 2 | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 4594 | 42886 | None | 68 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 345 | 5 | 1 | 5 | 2.9 | COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1503 | 42886 | None | 68 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 345 | 5 | 1 | 5 | 2.9 | COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1 | 10.1038/s41467-023-40064-9 | |||
| 2406 | 100458 | None | 56 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -10 | 12 | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL290106 | 100458 | None | 56 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -10 | 12 | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | |||
| 6047 | 4324 | None | 68 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 3 | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 6047.0 | 4324 | None | 68 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 3 | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 6971033 | 4324 | None | 68 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 3 | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1009 | 4324 | None | 68 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 3 | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB01235 | 4324 | None | 68 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 3 | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 6602341 | 112871 | None | 11 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 521 | 6 | 4 | 8 | 1.4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3cnc4cccnc4c3O)c3ccccc3)C(=O)N2[C@H]1C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3306902 | 112871 | None | 11 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 521 | 6 | 4 | 8 | 1.4 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3cnc4cccnc4c3O)c3ccccc3)C(=O)N2[C@H]1C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 24821094 | 67115 | None | 58 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1873475 | 67115 | None | 58 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| 10184665 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 10184665.0 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 4799 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 7353 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1198857 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| DB09082 | 3991 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 5070 | 207198 | None | 77 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 234 | 1 | 1 | 4 | 2.8 | Nc1nc2ccc(OC(F)(F)F)cc2s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL744 | 207198 | None | 77 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 234 | 1 | 1 | 4 | 2.8 | Nc1nc2ccc(OC(F)(F)F)cc2s1 | 10.1038/s41467-023-40064-9 | |||
| 5994 | 4643 | None | 51 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL103 | 4643 | None | 51 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
| 4037 | 189124 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 295 | 3 | 2 | 2 | 4.7 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL509 | 189124 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 295 | 3 | 2 | 2 | 4.7 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL876 | 189124 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 295 | 3 | 2 | 2 | 4.7 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 1599 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3955 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3955.0 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 7215 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL841 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00836 | 2341 | None | 28 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 18 | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 16063245 | 167539 | None | 50 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 530 | 6 | 2 | 8 | 5.8 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4297524 | 167539 | None | 50 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 530 | 6 | 2 | 8 | 5.8 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| 108143 | 94634 | None | 62 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 351 | 3 | 2 | 2 | 5.0 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL25202 | 94634 | None | 62 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 351 | 3 | 2 | 2 | 5.0 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 | 10.1038/s41467-023-40064-9 | |||
| 2136 | 3095 | None | 24 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 5 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 4768 | 3095 | None | 24 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 5 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 4768.0 | 3095 | None | 24 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 5 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 7268 | 3095 | None | 24 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 5 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL753 | 3095 | None | 24 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 5 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00925 | 3095 | None | 24 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 5 | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 45138674 | 16653 | None | 45 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 572 | 6 | 1 | 7 | 5.7 | COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1241951 | 16653 | None | 45 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 572 | 6 | 1 | 7 | 5.7 | COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| 5573 | 67602 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
| 5573.0 | 67602 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1325297 | 67602 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL190044 | 67602 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
| DB09089 | 67602 | None | 59 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 387 | 9 | 0 | 6 | 3.7 | CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C | 10.1038/s41467-023-40064-9 | |||
| 54758501 | 139154 | None | 52 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3786343 | 139154 | None | 52 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | |||
| 89683805 | 154523 | None | 55 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 473 | 6 | 3 | 8 | 4.3 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3989908 | 154523 | None | 55 | Human | Binding | pAC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 473 | 6 | 3 | 8 | 4.3 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | 10.1038/s41467-023-40064-9 | |||
| 135564886 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 135673376 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 137157436 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 145948239 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 71587099 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201304 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 176870 | 197941 | None | 62 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 393 | 10 | 1 | 7 | 3.4 | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL553 | 197941 | None | 62 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 393 | 10 | 1 | 7 | 3.4 | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | 10.1038/s41467-023-40064-9 | |||
| 214 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2740 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 5566 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 5566.0 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 66064 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL422 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB00831 | 3860 | None | 43 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 1427 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 357 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 3696 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL11 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00458 | 2013 | None | 42 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 26 | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 25181577 | 78248 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105695 | 78248 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 3280 | 48463 | None | 17 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1555736 | 48463 | None | 17 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | |||
| 2812 | 4781 | None | 63 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -25 | 34 | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL104 | 4781 | None | 63 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -25 | 34 | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 1836 | 2592 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -19 | 15 | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3340 | 2592 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -19 | 15 | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | |||
| 5281040 | 2592 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -19 | 15 | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | |||
| 5281040.0 | 2592 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -19 | 15 | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL787 | 2592 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -19 | 15 | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB00471 | 2592 | None | 44 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -19 | 15 | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | 10.1038/s41467-023-40064-9 | |||
| 644241 | 95239 | None | 68 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 529 | 6 | 2 | 7 | 6.4 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL255863 | 95239 | None | 68 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 529 | 6 | 2 | 7 | 6.4 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| 2683 | 102943 | None | 17 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -371 | 16 | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL305906 | 102943 | None | 17 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -371 | 16 | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL334255 | 102943 | None | 17 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -371 | 16 | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3767 | 205563 | None | 72 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 137 | 1 | 2 | 3 | -0.3 | NNC(=O)c1ccncc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL64 | 205563 | None | 72 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 137 | 1 | 2 | 3 | -0.3 | NNC(=O)c1ccncc1 | 10.1038/s41467-023-40064-9 | |||
| 5591 | 157623 | None | 57 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -1 | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL408 | 157623 | None | 57 | Human | Binding | pAC50 | = | 5.5 | 5.5 | -1 | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
| 16063245 | 167539 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 530 | 6 | 2 | 8 | 5.8 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4297524 | 167539 | None | 50 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 530 | 6 | 2 | 8 | 5.8 | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1 | 10.1038/s41467-023-40064-9 | |||
| 5280453 | 208429 | None | 49 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL846 | 208429 | None | 49 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 49843517 | 78325 | None | 41 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107831 | 78325 | None | 41 | Human | Binding | pAC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | |||
| 3830 | 85730 | None | 74 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 215 | 3 | 2 | 5 | 1.6 | c1coc(CNc2ncnc3[nH]cnc23)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL228792 | 85730 | None | 74 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 215 | 3 | 2 | 5 | 1.6 | c1coc(CNc2ncnc3[nH]cnc23)c1 | 10.1038/s41467-023-40064-9 | |||
| 2324 | 77126 | None | 16 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2074972 | 77126 | None | 16 | Human | Binding | pAC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 2712 | 916 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 4 | ChEMBL | 299 | 1 | 1 | 3 | 3.0 | CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 3370 | 916 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 4 | ChEMBL | 299 | 1 | 1 | 3 | 3.0 | CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 594 | 916 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 4 | ChEMBL | 299 | 1 | 1 | 3 | 3.0 | CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL451 | 916 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 4 | ChEMBL | 299 | 1 | 1 | 3 | 3.0 | CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00475 | 916 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 4 | ChEMBL | 299 | 1 | 1 | 3 | 3.0 | CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 439693 | 51199 | None | 39 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 268 | 2 | 4 | 8 | -1.2 | OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1580 | 51199 | None | 39 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 268 | 2 | 4 | 8 | -1.2 | OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 82146 | 4532 | None | 68 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1023 | 4532 | None | 68 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | |||
| 98941 | 46964 | None | 13 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL154126 | 46964 | None | 13 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 25151352 | 140693 | None | 56 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3813873 | 140693 | None | 56 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | |||
| 219024 | 3300 | None | 47 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 219024.0 | 3300 | None | 47 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 2362 | 3300 | None | 47 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 5596 | 3300 | None | 47 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL317052 | 3300 | None | 47 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| DB06213 | 3300 | None | 47 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 25102847 | 78250 | None | 62 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105717 | 78250 | None | 62 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
| 5430 | 205307 | None | 65 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 201 | 1 | 1 | 3 | 2.7 | c1ccc2[nH]c(-c3cscn3)nc2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL625 | 205307 | None | 65 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 201 | 1 | 1 | 3 | 2.7 | c1ccc2[nH]c(-c3cscn3)nc2c1 | 10.1038/s41467-023-40064-9 | |||
| 104850 | 3330 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 4150 | 3330 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 743 | 3330 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL111 | 3330 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| DB06155 | 3330 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 25102847 | 78250 | None | 62 | Human | Binding | pAC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105717 | 78250 | None | 62 | Human | Binding | pAC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | |||
| 4008 | 7228 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 610 | 10 | 1 | 9 | 5.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1085699 | 7228 | None | 58 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 610 | 10 | 1 | 9 | 5.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 26098 | 49557 | None | 22 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 300 | 2 | 0 | 4 | 2.1 | CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1565476 | 49557 | None | 22 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 300 | 2 | 0 | 4 | 2.1 | CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O | 10.1038/s41467-023-40064-9 | |||
| 1046 | 205109 | None | 68 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL614 | 205109 | None | 68 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | |||
| 6729 | 14491 | None | 33 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 432 | 5 | 0 | 2 | 6.5 | CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 6729.0 | 14491 | None | 33 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 432 | 5 | 0 | 2 | 6.5 | CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201271 | 14491 | None | 33 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 432 | 5 | 0 | 2 | 6.5 | CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| DB00354 | 14491 | None | 33 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 432 | 5 | 0 | 2 | 6.5 | CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 8478 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1182210 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL221753 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 70695647 | 78242 | None | 0 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 300 | 2 | 1 | 1 | 5.3 | C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105618 | 78242 | None | 0 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 300 | 2 | 1 | 1 | 5.3 | C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 1222 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3396 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3396.0 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 85 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL46516 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB04842 | 1664 | None | 37 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 32 | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 104903 | 56360 | None | 12 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1630578 | 56360 | None | 12 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 6 | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 2713 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5353524 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5360566 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 88536661 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9552079 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1330113 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL790 | 207729 | None | 57 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 71398 | 106495 | None | 32 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL313972 | 106495 | None | 32 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| 2333 | 142422 | None | 66 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL388590 | 142422 | None | 66 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
| 6918155 | 75444 | None | 43 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 540 | 5 | 1 | 7 | 4.7 | CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2040682 | 75444 | None | 43 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 540 | 5 | 1 | 7 | 4.7 | CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C | 10.1038/s41467-023-40064-9 | |||
| 5280343 | 188382 | None | 69 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -5 | 32 | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1520590 | 188382 | None | 69 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -5 | 32 | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL50 | 188382 | None | 69 | Human | Binding | pAC50 | = | 5.4 | 5.4 | -5 | 32 | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1038/s41467-023-40064-9 | |||
| 2284 | 206531 | None | 76 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2284.0 | 206531 | None | 76 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL701 | 206531 | None | 76 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| DB00181 | 206531 | None | 76 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 213 | 4 | 2 | 2 | 1.9 | NCC(CC(=O)O)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9853053 | 120583 | None | 54 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL354541 | 120583 | None | 54 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
| 6450551 | 19218 | None | 60 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 386 | 5 | 2 | 4 | 4.6 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1289926 | 19218 | None | 60 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 386 | 5 | 2 | 4 | 4.6 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 10.1038/s41467-023-40064-9 | |||
| 12488 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -22 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
| 941361 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -22 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL30008 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -22 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
| DB04841 | 1657 | None | 39 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -22 | 23 | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | 10.1038/s41467-023-40064-9 | |||
| 443869 | 78170 | None | 28 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103761 | 78170 | None | 28 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 11980903 | 14498 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 22526 | 14498 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5281035 | 14498 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201303 | 14498 | None | 13 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 71398 | 106495 | None | 32 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL313972 | 106495 | None | 32 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| 5282367 | 95957 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 444 | 11 | 0 | 2 | 8.9 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL259223 | 95957 | None | 50 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 444 | 11 | 0 | 2 | 8.9 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O | 10.1038/s41467-023-40064-9 | |||
| 4485 | 69401 | None | 70 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12 | 8 | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
| CHEMBL193 | 69401 | None | 70 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -12 | 8 | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
| 219024 | 3300 | None | 47 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 219024.0 | 3300 | None | 47 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 2362 | 3300 | None | 47 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 5596 | 3300 | None | 47 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL317052 | 3300 | None | 47 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| DB06213 | 3300 | None | 47 | Human | Binding | pAC50 | = | 6.3 | 6.3 | -18 | 5 | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1038/s41467-023-40064-9 | |||
| 5282138 | 173226 | None | 59 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 492 | 10 | 1 | 8 | 4.3 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL452076 | 173226 | None | 59 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 492 | 10 | 1 | 8 | 4.3 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 16362 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 16362.0 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2172 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 90 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1423 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01100 | 3125 | None | 49 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 41684 | 31229 | None | 62 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1401 | 31229 | None | 62 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| 31315 | 93461 | None | 51 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 317 | 2 | 3 | 3 | 3.4 | O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL245807 | 93461 | None | 51 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 317 | 2 | 3 | 3 | 3.4 | O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 6509979 | 14440 | None | 35 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 809 | 6 | 2 | 11 | 5.7 | CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200686 | 14440 | None | 35 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 809 | 6 | 2 | 11 | 5.7 | CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| 5050 | 78229 | None | 41 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 355 | 4 | 1 | 5 | 3.5 | Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105300 | 78229 | None | 41 | Human | Binding | pAC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 355 | 4 | 1 | 5 | 3.5 | Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C | 10.1038/s41467-023-40064-9 | |||
| 5318 | 15583 | None | 40 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -1 | 13 | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200348 | 15583 | None | 40 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -1 | 13 | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1221 | 15583 | None | 40 | Human | Binding | pAC50 | = | 5.3 | 5.3 | -1 | 13 | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 71496458 | 115628 | None | 61 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3353410 | 115628 | None | 61 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
| 3354 | 41798 | None | 37 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | |||
| 3354.0 | 41798 | None | 37 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1493 | 41798 | None | 37 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | |||
| DB01148 | 41798 | None | 37 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 391 | 5 | 0 | 5 | 4.4 | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O | 10.1038/s41467-023-40064-9 | |||
| 72093 | 35070 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1433361 | 35070 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103773 | 35070 | None | 5 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 8478 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1182210 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL221753 | 11852 | None | 18 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 71398 | 106495 | None | 32 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL313972 | 106495 | None | 32 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| 5282219 | 35878 | None | 48 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1441961 | 35878 | None | 48 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5282493 | 14455 | None | 28 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 494 | 3 | 1 | 5 | 4.6 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200975 | 14455 | None | 28 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 494 | 3 | 1 | 5 | 4.6 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| 5282175 | 14437 | None | 23 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200661 | 14437 | None | 23 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | |||
| 216416 | 111644 | None | 40 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL328190 | 111644 | None | 40 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 154257 | 178724 | None | 43 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL46740 | 178724 | None | 43 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
| 64139 | 84819 | None | 58 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL223228 | 84819 | None | 58 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | |||
| 40973 | 46049 | None | 50 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1533 | 46049 | None | 50 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103737 | 78169 | None | 0 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 4499 | 59795 | None | 61 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -1 | 2 | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1726 | 59795 | None | 61 | Human | Binding | pAC50 | = | 6.2 | 6.2 | -1 | 2 | ChEMBL | 388 | 6 | 1 | 7 | 3.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
| 54454 | 5260 | None | 48 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1064 | 5260 | None | 48 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 21700 | 593 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | |||
| 294 | 593 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | |||
| 5894 | 593 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200500 | 593 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | |||
| DB00394 | 593 | None | 36 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | |||
| 150311 | 9814 | None | 69 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1138 | 9814 | None | 69 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | |||
| 213046 | 2385 | None | 44 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
| 213046.0 | 2385 | None | 44 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
| 4168 | 2385 | None | 44 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
| 7461 | 2385 | None | 44 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1237021 | 2385 | None | 44 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
| DB08815 | 2385 | None | 44 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 8 | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | |||
| 51755 | 57422 | None | 40 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1651990 | 57422 | None | 40 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 54682461 | 84720 | None | 41 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL222559 | 84720 | None | 41 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
| 5482 | 14425 | None | 55 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200438 | 14425 | None | 55 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 5440 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| 5440.0 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1378 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| DB00372 | 28732 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 9 | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| 228 | 445 | None | 20 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
| 33 | 445 | None | 20 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
| 6005 | 445 | None | 20 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
| 6005.0 | 445 | None | 20 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL53 | 445 | None | 20 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
| DB00714 | 445 | None | 20 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 24 | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | 10.1038/s41467-023-40064-9 | |||
| 13791 | 43805 | None | 46 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 356 | 4 | 1 | 3 | 5.4 | CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1511 | 43805 | None | 46 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 356 | 4 | 1 | 3 | 5.4 | CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | |||
| 31101 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 31101.0 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 35 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 403 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL493 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| DB01200 | 729 | None | 28 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 35 | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 16722836 | 18992 | None | 63 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1287853 | 18992 | None | 63 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| 242 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 34 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1112 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01238 | 470 | None | 70 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 4046 | 2483 | None | 21 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 4252 | 2483 | None | 21 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL416956 | 2483 | None | 21 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| DB00358 | 2483 | None | 21 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 2 | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
| 6719 | 32676 | None | 23 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1413199 | 32676 | None | 23 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3474 | 38112 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL146095 | 38112 | None | 43 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | |||
| 667476 | 4472 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 266 | 3 | 2 | 2 | 4.6 | C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1018 | 4472 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 266 | 3 | 2 | 2 | 4.6 | C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 24826799 | 10802 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1171837 | 10802 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
| 5486699 | 107495 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 742 | 15 | 10 | 19 | -2.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3182320 | 107495 | None | 45 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 742 | 15 | 10 | 19 | -2.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1038/s41467-023-40064-9 | |||
| 5803 | 162321 | None | 58 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL41632 | 162321 | None | 58 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
| 4034 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| 4034.0 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1623 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| DB00737 | 55838 | None | 37 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 390 | 5 | 0 | 2 | 5.6 | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 | 10.1038/s41467-023-40064-9 | |||
| 439280 | 120083 | None | 57 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 2 | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 6971044 | 120083 | None | 57 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 2 | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL350221 | 120083 | None | 57 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 2 | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 2194 | 63103 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL178862 | 63103 | None | 64 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 3883 | 183641 | None | 69 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL480 | 183641 | None | 69 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| 15942715 | 78222 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 446 | 5 | 1 | 5 | 4.0 | CCCCOC(=O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105087 | 78222 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 446 | 5 | 1 | 5 | 4.0 | CCCCOC(=O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 259329 | 60524 | None | 23 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 519 | 7 | 2 | 4 | 5.3 | C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1756 | 60524 | None | 23 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 519 | 7 | 2 | 4 | 5.3 | C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| 448537 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -16 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL411 | 160344 | None | 54 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -16 | 25 | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5077 | 3578 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 7552 | 3578 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9913767 | 3578 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9913767.0 | 3578 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL238804 | 3578 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| DB11362 | 3578 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 3333 | 40181 | None | 69 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1480 | 40181 | None | 69 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 10374 | 72356 | None | 46 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 221 | 2 | 2 | 5 | 1.9 | Nc1ncnc(Nc2ccc(Cl)cc2)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1984344 | 72356 | None | 46 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 221 | 2 | 2 | 5 | 1.9 | Nc1ncnc(Nc2ccc(Cl)cc2)n1 | 10.1038/s41467-023-40064-9 | |||
| 156419 | 938 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 156419.0 | 938 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3308 | 938 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 647 | 938 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201284 | 938 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB01012 | 938 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 15 | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 444008 | 78173 | None | 31 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 312 | 0 | 1 | 2 | 3.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103774 | 78173 | None | 31 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 312 | 0 | 1 | 2 | 3.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 1605 | 2342 | None | 72 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3957 | 2342 | None | 72 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3957.0 | 2342 | None | 72 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 7216 | 2342 | None | 72 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL998 | 2342 | None | 72 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB00455 | 2342 | None | 72 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 4 | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 5281034 | 14431 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 332 | 0 | 2 | 3 | 4.4 | C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200585 | 14431 | None | 18 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 332 | 0 | 2 | 3 | 4.4 | C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | |||
| 444795 | 140086 | None | 62 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -3 | 2 | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL38 | 140086 | None | 62 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -3 | 2 | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | 10.1038/s41467-023-40064-9 | |||
| 24821094 | 67115 | None | 58 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1873475 | 67115 | None | 58 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| 5832 | 14466 | None | 37 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 340 | 1 | 0 | 3 | 4.1 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201146 | 14466 | None | 37 | Human | Binding | pAC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 340 | 1 | 0 | 3 | 4.1 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 5329102 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL535 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| 3606 | 205946 | None | 40 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL6615 | 205946 | None | 40 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5591 | 157623 | None | 57 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL408 | 157623 | None | 57 | Human | Binding | pAC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
| 135973538 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| 1728 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| 2966 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| 4261196 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| 5361 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| 5361.0 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL265502 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB04786 | 3710 | None | 26 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 2 | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1038/s41467-023-40064-9 | |||
| 2865 | 4143 | None | 47 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 59 | 4143 | None | 47 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 60854 | 4143 | None | 47 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 60854.0 | 4143 | None | 47 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL708 | 4143 | None | 47 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00246 | 4143 | None | 47 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 53 | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1038/s4 | |||