id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
|---|---|---|---|---|---|---|
295,246,500 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1CO | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2CO)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,501 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1CO | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2CO)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,502 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1CO | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2CO)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,503 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,504 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,505 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,506 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,507 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,508 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)cc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,509 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,510 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,511 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,512 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCOCC2)cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCOCC3)cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,513 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCOCC2)cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCOCC3)cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,514 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCOCC2)cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCOCC3)cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,515 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCOCC2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCOCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,516 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCOCC2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCOCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,517 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(N2CCOCC2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(N3CCOCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,518 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(O)cc1C(F)(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(O)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,519 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(O)cc1C(F)(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(O)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,520 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(O)cc1C(F)(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(O)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,521 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(OC(F)F)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(OC(F)F)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,522 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(OC(F)F)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(OC(F)F)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,523 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(OC(F)F)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(OC(F)F)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,524 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(Br)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(Br)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,525 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(Br)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(Br)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,526 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(Br)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(Br)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,527 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,528 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,529 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,530 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,531 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,532 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc([N+](=O)[O-])c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,533 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2[nH]c(=O)[nH]c2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,534 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2[nH]c(=O)[nH]c2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,535 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2[nH]c(=O)[nH]c2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,536 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)C(=O)CCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)C(=O)CCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,537 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)C(=O)CCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)C(=O)CCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,538 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)C(=O)CCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)C(=O)CCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,539 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CC(=O)N2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CC(=O)N3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,540 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CC(=O)N2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CC(=O)N3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,541 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CC(=O)N2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CC(=O)N3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,542 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CCCC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CCCC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,543 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CCCC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CCCC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,544 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CCCC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CCCC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,545 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CNC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CNC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,546 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CNC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CNC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,547 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)CNC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)CNC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,548 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)COC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)COC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,549 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)COC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)COC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,550 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)COC2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)COC3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,551 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)OCO2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,552 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)OCO2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,553 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)OCO2 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,554 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)oc1ccccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)oc2ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,555 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)oc1ccccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)oc2ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,556 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2c(c1)oc1ccccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3c(c2)oc2ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,557 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cc(Br)ccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cc(Br)ccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,558 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cc(Br)ccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cc(Br)ccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,559 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cc(Br)ccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cc(Br)ccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,560 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cn[nH]c2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cn[nH]c3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,561 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cn[nH]c2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cn[nH]c3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,562 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cn[nH]c2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cn[nH]c3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,563 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cnccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cnccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,564 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cnccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cnccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,565 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2cnccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3cnccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,566 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2ncccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3ncccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,567 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2ncccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3ncccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,568 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2ncccc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3ncccc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,569 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccn2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccn3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,570 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccn2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccn3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,571 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccn2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccn3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,572 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccnc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccnc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,573 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccnc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccnc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,574 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccnc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccnc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,575 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccnc2c1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccnc3c2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,576 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccnc2c1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccnc3c2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,577 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nccnc2c1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nccnc3c2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,578 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nsnc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nsnc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,579 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nsnc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nsnc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,580 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc2nsnc2c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc3nsnc3c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,581 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(F)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,582 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(F)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,583 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(F)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,584 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(N2CCOCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,585 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(N2CCOCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,586 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(N2CCOCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,587 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(OC(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,588 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(OC(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,589 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(OC(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,590 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(OCc2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OCc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,591 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(OCc2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OCc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,592 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc(OCc2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OCc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,593 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c(=O)[nH][nH]c(=O)c12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,594 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c(=O)[nH][nH]c(=O)c12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,595 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c(=O)[nH][nH]c(=O)c12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,596 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,597 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,598 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,599 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |