id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
---|---|---|---|---|---|---|
600 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC(O)c1ccncc1 | C#CCOc1ccc(CNc2nc(NCC(O)c3ccncc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
601 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC(O)c1ccncc1 | C#CCOc1ccc(CNc2nc(NCC(O)c3ccncc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
602 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC(O)c1ccncc1 | C#CCOc1ccc(CNc2nc(NCC(O)c3ccncc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
603 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC1(N2CCOCC2)CCOCC1 | C#CCOc1ccc(CNc2nc(NCC3(N4CCOCC4)CCOCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
604 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC1(N2CCOCC2)CCOCC1 | C#CCOc1ccc(CNc2nc(NCC3(N4CCOCC4)CCOCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
605 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC1(N2CCOCC2)CCOCC1 | C#CCOc1ccc(CNc2nc(NCC3(N4CCOCC4)CCOCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
606 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC1(c2ccncc2)CC1 | C#CCOc1ccc(CNc2nc(NCC3(c4ccncc4)CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
607 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC1(c2ccncc2)CC1 | C#CCOc1ccc(CNc2nc(NCC3(c4ccncc4)CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
608 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC1(c2ccncc2)CC1 | C#CCOc1ccc(CNc2nc(NCC3(c4ccncc4)CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
609 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCC(=O)Nc1ccncc1 | C#CCOc1ccc(CNc2nc(NCCC(=O)Nc3ccncc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
610 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCC(=O)Nc1ccncc1 | C#CCOc1ccc(CNc2nc(NCCC(=O)Nc3ccncc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
611 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCC(=O)Nc1ccncc1 | C#CCOc1ccc(CNc2nc(NCCC(=O)Nc3ccncc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
612 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCCN1CCNC(=O)C1 | C#CCOc1ccc(CNc2nc(NCCCN3CCNC(=O)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
613 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCCN1CCNC(=O)C1 | C#CCOc1ccc(CNc2nc(NCCCN3CCNC(=O)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
614 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCCN1CCNC(=O)C1 | C#CCOc1ccc(CNc2nc(NCCCN3CCNC(=O)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
615 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCNC(=O)c1cnccn1 | C#CCOc1ccc(CNc2nc(NCCNC(=O)c3cnccn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
616 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCNC(=O)c1cnccn1 | C#CCOc1ccc(CNc2nc(NCCNC(=O)c3cnccn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
617 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCNC(=O)c1cnccn1 | C#CCOc1ccc(CNc2nc(NCCNC(=O)c3cnccn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
618 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCc1nccn1C(F)F | C#CCOc1ccc(CNc2nc(NCCc3nccn3C(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
619 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCc1nccn1C(F)F | C#CCOc1ccc(CNc2nc(NCCc3nccn3C(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
620 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCc1nccn1C(F)F | C#CCOc1ccc(CNc2nc(NCCc3nccn3C(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
621 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCc1nnc2c(=O)[nH]ccn12 | C#CCOc1ccc(CNc2nc(NCCc3nnc4c(=O)[nH]ccn34)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
622 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCc1nnc2c(=O)[nH]ccn12 | C#CCOc1ccc(CNc2nc(NCCc3nnc4c(=O)[nH]ccn34)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
623 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCc1nnc2c(=O)[nH]ccn12 | C#CCOc1ccc(CNc2nc(NCCc3nnc4c(=O)[nH]ccn34)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
624 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCn1cc(C2CC2)nn1 | C#CCOc1ccc(CNc2nc(NCCn3cc(C4CC4)nn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
625 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCn1cc(C2CC2)nn1 | C#CCOc1ccc(CNc2nc(NCCn3cc(C4CC4)nn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
626 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCn1cc(C2CC2)nn1 | C#CCOc1ccc(CNc2nc(NCCn3cc(C4CC4)nn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
627 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCn1cccnc1=O | C#CCOc1ccc(CNc2nc(NCCn3cccnc3=O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
628 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCn1cccnc1=O | C#CCOc1ccc(CNc2nc(NCCn3cccnc3=O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
629 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCCn1cccnc1=O | C#CCOc1ccc(CNc2nc(NCCn3cccnc3=O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
630 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1cc(=O)nc[nH]1 | C#CCOc1ccc(CNc2nc(NCc3cc(=O)nc[nH]3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
631 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1cc(=O)nc[nH]1 | C#CCOc1ccc(CNc2nc(NCc3cc(=O)nc[nH]3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
632 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1cc(=O)nc[nH]1 | C#CCOc1ccc(CNc2nc(NCc3cc(=O)nc[nH]3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
633 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc(O)c2ncccc12 | C#CCOc1ccc(CNc2nc(NCc3ccc(O)c4ncccc34)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
634 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc(O)c2ncccc12 | C#CCOc1ccc(CNc2nc(NCc3ccc(O)c4ncccc34)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
635 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc(O)c2ncccc12 | C#CCOc1ccc(CNc2nc(NCc3ccc(O)c4ncccc34)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
636 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc2ccccc2n1 | C#CCOc1ccc(CNc2nc(NCc3ccc4ccccc4n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
637 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc2ccccc2n1 | C#CCOc1ccc(CNc2nc(NCc3ccc4ccccc4n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
638 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc2ccccc2n1 | C#CCOc1ccc(CNc2nc(NCc3ccc4ccccc4n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
639 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc2scnc2c1 | C#CCOc1ccc(CNc2nc(NCc3ccc4scnc4c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
640 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc2scnc2c1 | C#CCOc1ccc(CNc2nc(NCc3ccc4scnc4c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
641 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccc2scnc2c1 | C#CCOc1ccc(CNc2nc(NCc3ccc4scnc4c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
642 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccncc1C(F)(F)F | C#CCOc1ccc(CNc2nc(NCc3ccncc3C(F)(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
643 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccncc1C(F)(F)F | C#CCOc1ccc(CNc2nc(NCc3ccncc3C(F)(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
644 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ccncc1C(F)(F)F | C#CCOc1ccc(CNc2nc(NCc3ccncc3C(F)(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
645 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nc2c(F)c(F)ccc2[nH]1 | C#CCOc1ccc(CNc2nc(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
646 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nc2c(F)c(F)ccc2[nH]1 | C#CCOc1ccc(CNc2nc(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
647 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nc2c(F)c(F)ccc2[nH]1 | C#CCOc1ccc(CNc2nc(NCc3nc4c(F)c(F)ccc4[nH]3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
648 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nc2c(s1)CCC2 | C#CCOc1ccc(CNc2nc(NCc3nc4c(s3)CCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
649 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nc2c(s1)CCC2 | C#CCOc1ccc(CNc2nc(NCc3nc4c(s3)CCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
650 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nc2c(s1)CCC2 | C#CCOc1ccc(CNc2nc(NCc3nc4c(s3)CCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
651 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ncccc1F | C#CCOc1ccc(CNc2nc(NCc3ncccc3F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
652 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ncccc1F | C#CCOc1ccc(CNc2nc(NCc3ncccc3F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
653 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1ncccc1F | C#CCOc1ccc(CNc2nc(NCc3ncccc3F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
654 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nccn1-c1ccccc1 | C#CCOc1ccc(CNc2nc(NCc3nccn3-c3ccccc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
655 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nccn1-c1ccccc1 | C#CCOc1ccc(CNc2nc(NCc3nccn3-c3ccccc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
656 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCc1nccn1-c1ccccc1 | C#CCOc1ccc(CNc2nc(NCc3nccn3-c3ccccc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
657 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cn1cc(CN)c(Br)n1 | C#CCOc1ccc(CNc2nc(NCc3cn(C)nc3Br)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
658 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cn1cc(CN)c(Br)n1 | C#CCOc1ccc(CNc2nc(NCc3cn(C)nc3Br)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
659 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cn1cc(CN)c(Br)n1 | C#CCOc1ccc(CNc2nc(NCc3cn(C)nc3Br)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
660 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cn1cc(N)ccc1=O | C#CCOc1ccc(CNc2nc(Nc3ccc(=O)n(C)c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
661 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cn1cc(N)ccc1=O | C#CCOc1ccc(CNc2nc(Nc3ccc(=O)n(C)c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
662 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cn1cc(N)ccc1=O | C#CCOc1ccc(CNc2nc(Nc3ccc(=O)n(C)c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
663 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NC1CCC(=O)CC1 | C#CCOc1ccc(CNc2nc(NC3CCC(=O)CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
664 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NC1CCC(=O)CC1 | C#CCOc1ccc(CNc2nc(NC3CCC(=O)CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
665 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NC1CCC(=O)CC1 | C#CCOc1ccc(CNc2nc(NC3CCC(=O)CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
666 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(=O)NC1CCC1 | C#CCOc1ccc(CNc2nc(NCC(=O)NC3CCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
667 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(=O)NC1CCC1 | C#CCOc1ccc(CNc2nc(NCC(=O)NC3CCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
668 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(=O)NC1CCC1 | C#CCOc1ccc(CNc2nc(NCC(=O)NC3CCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
669 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(F)(F)C(N)=O | C#CCOc1ccc(CNc2nc(NCC(F)(F)C(N)=O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
670 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(F)(F)C(N)=O | C#CCOc1ccc(CNc2nc(NCC(F)(F)C(N)=O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
671 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(F)(F)C(N)=O | C#CCOc1ccc(CNc2nc(NCC(F)(F)C(N)=O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
672 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(F)(F)C1CC1 | C#CCOc1ccc(CNc2nc(NCC(F)(F)C3CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
673 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(F)(F)C1CC1 | C#CCOc1ccc(CNc2nc(NCC(F)(F)C3CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
674 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC(F)(F)C1CC1 | C#CCOc1ccc(CNc2nc(NCC(F)(F)C3CC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
675 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1(O)C2C3CC4C5C3CC2C5C41 | C#CCOc1ccc(CNc2nc(NCC3(O)C4C5CC6C7C5CC4C7C63)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
676 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1(O)C2C3CC4C5C3CC2C5C41 | C#CCOc1ccc(CNc2nc(NCC3(O)C4C5CC6C7C5CC4C7C63)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
677 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1(O)C2C3CC4C5C3CC2C5C41 | C#CCOc1ccc(CNc2nc(NCC3(O)C4C5CC6C7C5CC4C7C63)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
678 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1(OCCO)CCS(=O)(=O)C1 | C#CCOc1ccc(CNc2nc(NCC3(OCCO)CCS(=O)(=O)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
679 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1(OCCO)CCS(=O)(=O)C1 | C#CCOc1ccc(CNc2nc(NCC3(OCCO)CCS(=O)(=O)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
680 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1(OCCO)CCS(=O)(=O)C1 | C#CCOc1ccc(CNc2nc(NCC3(OCCO)CCS(=O)(=O)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
681 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC12CC3CC(CC(C3)C1)C2 | C#CCOc1ccc(CNc2nc(NCC34CC5CC(CC(C5)C3)C4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
682 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC12CC3CC(CC(C3)C1)C2 | C#CCOc1ccc(CNc2nc(NCC34CC5CC(CC(C5)C3)C4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
683 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC12CC3CC(CC(C3)C1)C2 | C#CCOc1ccc(CNc2nc(NCC34CC5CC(CC(C5)C3)C4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 1 |
684 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1C=CCC1 | C#CCOc1ccc(CNc2nc(NCC3C=CCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
685 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1C=CCC1 | C#CCOc1ccc(CNc2nc(NCC3C=CCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
686 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1C=CCC1 | C#CCOc1ccc(CNc2nc(NCC3C=CCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
687 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC(=O)N(Cc2ccccc2)C1 | C#CCOc1ccc(CNc2nc(NCC3CC(=O)N(Cc4ccccc4)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
688 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC(=O)N(Cc2ccccc2)C1 | C#CCOc1ccc(CNc2nc(NCC3CC(=O)N(Cc4ccccc4)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
689 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC(=O)N(Cc2ccccc2)C1 | C#CCOc1ccc(CNc2nc(NCC3CC(=O)N(Cc4ccccc4)C3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
690 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC12CCOCC2 | C#CCOc1ccc(CNc2nc(NCC3CC34CCOCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
691 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC12CCOCC2 | C#CCOc1ccc(CNc2nc(NCC3CC34CCOCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
692 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC12CCOCC2 | C#CCOc1ccc(CNc2nc(NCC3CC34CCOCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
693 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC2(C1)CC2(F)F | C#CCOc1ccc(CNc2nc(NCC3CC4(C3)CC4(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
694 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC2(C1)CC2(F)F | C#CCOc1ccc(CNc2nc(NCC3CC4(C3)CC4(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
695 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CC2(C1)CC2(F)F | C#CCOc1ccc(CNc2nc(NCC3CC4(C3)CC4(F)F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
696 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CCCC1 | C#CCOc1ccc(CNc2nc(NCC3CCCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
697 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CCCC1 | C#CCOc1ccc(CNc2nc(NCC3CCCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
698 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CCCC1 | C#CCOc1ccc(CNc2nc(NCC3CCCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
699 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.NCC1CCCC2(CCC2)C1O | C#CCOc1ccc(CNc2nc(NCC3CCCC4(CCC4)C3O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |