id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
|---|---|---|---|---|---|---|
295,246,600 | [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] | HSA | 0 |
295,246,601 | [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] | sEH | 0 |
295,246,602 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3ncccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,603 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3ncccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,604 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccc2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc3ncccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,605 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccccc1-c1nnn[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccccc2-c2nnn[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,606 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccccc1-c1nnn[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccccc2-c2nnn[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,607 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccccc1-c1nnn[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccccc2-c2nnn[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,608 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,609 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,610 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,611 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccnc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccnc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,612 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccnc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccnc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,613 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cccnc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccnc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,614 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(-c2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(-c3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,615 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(-c2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(-c3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,616 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(-c2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(-c3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,617 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,618 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,619 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,620 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,621 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,622 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccnc(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccnc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,623 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccncc1[N+](=O)[O-] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccncc2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,624 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccncc1[N+](=O)[O-] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccncc2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,625 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccncc1[N+](=O)[O-] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccncc2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,626 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccncn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,627 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccncn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,628 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccncn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,629 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccsc1.O=C(O)C(=O)O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,630 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccsc1.O=C(O)C(=O)O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,631 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccsc1.O=C(O)C(=O)O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,632 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cn2nc(Cl)ccc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,633 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cn2nc(Cl)ccc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,634 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cn2nc(Cl)ccc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,635 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cn[nH]c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn[nH]c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,636 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cn[nH]c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn[nH]c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,637 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cn[nH]c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn[nH]c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,638 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,639 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,640 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,641 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)cc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,642 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)cc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,643 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)cc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)cc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,644 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,645 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,646 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,647 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,648 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,649 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnc(Cl)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,650 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cncc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cncc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,651 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cncc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cncc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,652 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cncc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cncc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,653 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,654 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,655 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cnccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cnccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,656 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cncnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cncnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,657 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cncnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cncnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,658 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cncnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cncnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,659 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2c(Cl)cc([N+](=O)[O-])cc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2n[nH]c3c(Cl)cc([N+](=O)[O-])cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,660 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2c(Cl)cc([N+](=O)[O-])cc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2n[nH]c3c(Cl)cc([N+](=O)[O-])cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,661 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2c(Cl)cc([N+](=O)[O-])cc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2n[nH]c3c(Cl)cc([N+](=O)[O-])cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,662 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2c(F)c(F)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2n[nH]c3c(F)c(F)ccc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,663 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2c(F)c(F)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2n[nH]c3c(F)c(F)ccc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,664 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2c(F)c(F)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2n[nH]c3c(F)c(F)ccc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,665 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2cc(Cl)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3cc(Cl)ccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,666 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2cc(Cl)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3cc(Cl)ccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,667 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2cc(Cl)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3cc(Cl)ccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,668 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2cc(F)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3cc(F)ccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,669 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2cc(F)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3cc(F)ccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,670 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2cc(F)ccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3cc(F)ccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,671 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2ccc([N+](=O)[O-])cc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3ccc([N+](=O)[O-])cc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,672 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2ccc([N+](=O)[O-])cc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3ccc([N+](=O)[O-])cc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,673 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2ccc([N+](=O)[O-])cc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3ccc([N+](=O)[O-])cc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,674 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3ncccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,675 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3ncccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,676 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1n[nH]c2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2n[nH]c3ncccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,677 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,678 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,679 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,680 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccc(Cl)cc2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccc(Cl)cc3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,681 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccc(Cl)cc2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccc(Cl)cc3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,682 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccc(Cl)cc2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccc(Cl)cc3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,683 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccccc2Cl)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccccc3Cl)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,684 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccccc2Cl)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccccc3Cl)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,685 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(-c2ccccc2Cl)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(-c3ccccc3Cl)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,686 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(=O)[nH]cc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(=O)[nH]cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,687 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(=O)[nH]cc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(=O)[nH]cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,688 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(=O)[nH]cc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(=O)[nH]cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,689 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Br)cn2ccnc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nc(Br)cn3ccnc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,690 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Br)cn2ccnc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nc(Br)cn3ccnc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,691 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Br)cn2ccnc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2nc(Br)cn3ccnc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,692 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(C2CC2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(C3CC3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,693 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(C2CC2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(C3CC3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,694 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(C2CC2)cs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(C3CC3)cs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,695 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Cl)c(C=O)c(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c(C=O)c(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,696 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Cl)c(C=O)c(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c(C=O)c(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,697 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Cl)c(C=O)c(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c(C=O)c(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,698 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Cl)c2[nH]cnc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3[nH]cnc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,699 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1nc(Cl)c2[nH]cnc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(Cl)c3[nH]cnc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |