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id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
|---|---|---|---|---|---|---|
500 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccc([N+](=O)[O-])c(N)n1 | C#CCOc1ccc(CNc2nc(Nc3nc(C)ccc3[N+](=O)[O-])nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
501 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc(CCCN)n1 | C#CCOc1ccc(CNc2nc(NCCCc3cccc(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
502 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc(CCCN)n1 | C#CCOc1ccc(CNc2nc(NCCCc3cccc(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
503 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc(CCCN)n1 | C#CCOc1ccc(CNc2nc(NCCCc3cccc(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
504 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc(N)c1Cl | C#CCOc1ccc(CNc2nc(Nc3cccc(C)c3Cl)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
505 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc(N)c1Cl | C#CCOc1ccc(CNc2nc(Nc3cccc(C)c3Cl)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
506 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc(N)c1Cl | C#CCOc1ccc(CNc2nc(Nc3cccc(C)c3Cl)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
507 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc2oc(CCN)nc12.Cl.Cl | C#CCOc1ccc(CNc2nc(NCCc3nc4c(C)cccc4o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
508 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc2oc(CCN)nc12.Cl.Cl | C#CCOc1ccc(CNc2nc(NCCc3nc4c(C)cccc4o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
509 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc2oc(CCN)nc12.Cl.Cl | C#CCOc1ccc(CNc2nc(NCCc3nc4c(C)cccc4o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
510 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc2sc(N)nc12 | C#CCOc1ccc(CNc2nc(Nc3nc4c(C)cccc4s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
511 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc2sc(N)nc12 | C#CCOc1ccc(CNc2nc(Nc3nc4c(C)cccc4s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
512 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cccc2sc(N)nc12 | C#CCOc1ccc(CNc2nc(Nc3nc4c(C)cccc4s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
513 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccnc(N)c1 | C#CCOc1ccc(CNc2nc(Nc3cc(C)ccn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
514 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccnc(N)c1 | C#CCOc1ccc(CNc2nc(Nc3cc(C)ccn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
515 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccnc(N)c1 | C#CCOc1ccc(CNc2nc(Nc3cc(C)ccn3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
516 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccsc1CN | C#CCOc1ccc(CNc2nc(NCc3sccc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
517 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccsc1CN | C#CCOc1ccc(CNc2nc(NCc3sccc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
518 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1ccsc1CN | C#CCOc1ccc(CNc2nc(NCc3sccc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
519 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1 | C#CCOc1ccc(CNc2nc(Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
520 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1 | C#CCOc1ccc(CNc2nc(Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
521 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1 | C#CCOc1ccc(CNc2nc(Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
522 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(CN)o1.Cl | C#CCOc1ccc(CNc2nc(NCc3ncc(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
523 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(CN)o1.Cl | C#CCOc1ccc(CNc2nc(NCc3ncc(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
524 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(CN)o1.Cl | C#CCOc1ccc(CNc2nc(NCc3ncc(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
525 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(CN)s1 | C#CCOc1ccc(CNc2nc(NCc3ncc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
526 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(CN)s1 | C#CCOc1ccc(CNc2nc(NCc3ncc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
527 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(CN)s1 | C#CCOc1ccc(CNc2nc(NCc3ncc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
528 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(F)c(CN)c1 | C#CCOc1ccc(CNc2nc(NCc3cc(C)cnc3F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
529 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(F)c(CN)c1 | C#CCOc1ccc(CNc2nc(NCc3cc(C)cnc3F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
530 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(F)c(CN)c1 | C#CCOc1ccc(CNc2nc(NCc3cc(C)cnc3F)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
531 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(N)s1 | C#CCOc1ccc(CNc2nc(Nc3ncc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
532 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(N)s1 | C#CCOc1ccc(CNc2nc(Nc3ncc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
533 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(N)s1 | C#CCOc1ccc(CNc2nc(Nc3ncc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
534 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(O)c(N)c1 | C#CCOc1ccc(CNc2nc(Nc3cc(C)cnc3O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
535 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(O)c(N)c1 | C#CCOc1ccc(CNc2nc(Nc3cc(C)cnc3O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
536 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cnc(O)c(N)c1 | C#CCOc1ccc(CNc2nc(Nc3cc(C)cnc3O)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
537 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1conc1CN | C#CCOc1ccc(CNc2nc(NCc3nocc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
538 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1conc1CN | C#CCOc1ccc(CNc2nc(NCc3nocc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
539 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1conc1CN | C#CCOc1ccc(CNc2nc(NCc3nocc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
540 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1csc(N)n1 | C#CCOc1ccc(CNc2nc(Nc3nc(C)cs3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
541 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1csc(N)n1 | C#CCOc1ccc(CNc2nc(Nc3nc(C)cs3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
542 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1csc(N)n1 | C#CCOc1ccc(CNc2nc(Nc3nc(C)cs3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
543 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cscc1CN | C#CCOc1ccc(CNc2nc(NCc3cscc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
544 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cscc1CN | C#CCOc1ccc(CNc2nc(NCc3cscc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
545 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1cscc1CN | C#CCOc1ccc(CNc2nc(NCc3cscc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
546 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1n[nH]c(N)c1C | C#CCOc1ccc(CNc2nc(Nc3[nH]nc(C)c3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
547 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1n[nH]c(N)c1C | C#CCOc1ccc(CNc2nc(Nc3[nH]nc(C)c3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
548 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1n[nH]c(N)c1C | C#CCOc1ccc(CNc2nc(Nc3[nH]nc(C)c3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
549 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CCN)sc1C | C#CCOc1ccc(CNc2nc(NCCc3nc(C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
550 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CCN)sc1C | C#CCOc1ccc(CNc2nc(NCCc3nc(C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
551 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CCN)sc1C | C#CCOc1ccc(CNc2nc(NCCc3nc(C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
552 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)ccc1C(C)O.Cl.Cl | C#CCOc1ccc(CNc2nc(NCc3ccc(C(C)O)c(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
553 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)ccc1C(C)O.Cl.Cl | C#CCOc1ccc(CNc2nc(NCc3ccc(C(C)O)c(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
554 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)ccc1C(C)O.Cl.Cl | C#CCOc1ccc(CNc2nc(NCc3ccc(C(C)O)c(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
555 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)oc1C.Cl.Cl | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
556 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)oc1C.Cl.Cl | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
557 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)oc1C.Cl.Cl | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
558 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)sc1C | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
559 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)sc1C | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
560 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(CN)sc1C | C#CCOc1ccc(CNc2nc(NCc3nc(C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
561 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(Cl)c(N)c(Cl)n1 | C#CCOc1ccc(CNc2nc(Nc3c(Cl)nc(C)nc3Cl)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
562 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(Cl)c(N)c(Cl)n1 | C#CCOc1ccc(CNc2nc(Nc3c(Cl)nc(C)nc3Cl)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
563 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(Cl)c(N)c(Cl)n1 | C#CCOc1ccc(CNc2nc(Nc3c(Cl)nc(C)nc3Cl)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
564 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(N)ccc1Cl | C#CCOc1ccc(CNc2nc(Nc3ccc(Cl)c(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
565 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(N)ccc1Cl | C#CCOc1ccc(CNc2nc(Nc3ccc(Cl)c(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
566 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nc(N)ccc1Cl | C#CCOc1ccc(CNc2nc(Nc3ccc(Cl)c(C)n3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
567 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nn(C)c2ncc(CN)cc12.Cl | C#CCOc1ccc(CNc2nc(NCc3cnc4c(c3)c(C)nn4C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
568 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nn(C)c2ncc(CN)cc12.Cl | C#CCOc1ccc(CNc2nc(NCc3cnc4c(c3)c(C)nn4C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
569 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nn(C)c2ncc(CN)cc12.Cl | C#CCOc1ccc(CNc2nc(NCc3cnc4c(c3)c(C)nn4C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
570 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nn(CCN)c(C)c1Cl | C#CCOc1ccc(CNc2nc(NCCn3nc(C)c(Cl)c3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
571 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nn(CCN)c(C)c1Cl | C#CCOc1ccc(CNc2nc(NCCn3nc(C)c(Cl)c3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
572 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nn(CCN)c(C)c1Cl | C#CCOc1ccc(CNc2nc(NCCn3nc(C)c(Cl)c3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
573 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnc(N)o1 | C#CCOc1ccc(CNc2nc(Nc3nnc(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
574 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnc(N)o1 | C#CCOc1ccc(CNc2nc(Nc3nnc(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
575 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnc(N)o1 | C#CCOc1ccc(CNc2nc(Nc3nnc(C)o3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
576 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnc(N)s1 | C#CCOc1ccc(CNc2nc(Nc3nnc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
577 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnc(N)s1 | C#CCOc1ccc(CNc2nc(Nc3nnc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
578 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnc(N)s1 | C#CCOc1ccc(CNc2nc(Nc3nnc(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
579 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nncn1CCCN.Cl | C#CCOc1ccc(CNc2nc(NCCCn3cnnc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
580 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nncn1CCCN.Cl | C#CCOc1ccc(CNc2nc(NCCCn3cnnc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
581 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nncn1CCCN.Cl | C#CCOc1ccc(CNc2nc(NCCCn3cnnc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
582 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnsc1CN | C#CCOc1ccc(CNc2nc(NCc3snnc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
583 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnsc1CN | C#CCOc1ccc(CNc2nc(NCc3snnc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
584 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1nnsc1CN | C#CCOc1ccc(CNc2nc(NCc3snnc3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
585 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1sc(CN)nc1C(C)C | C#CCOc1ccc(CNc2nc(NCc3nc(C(C)C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
586 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1sc(CN)nc1C(C)C | C#CCOc1ccc(CNc2nc(NCc3nc(C(C)C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
587 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cc1sc(CN)nc1C(C)C | C#CCOc1ccc(CNc2nc(NCc3nc(C(C)C)c(C)s3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
588 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.Cn1ccnc1Cn1c(CCCN)nc2c1CCCC2 | C#CCOc1ccc(CNc2nc(NCCCc3nc4c(n3Cc3nccn3C)CCCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
589 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.Cn1ccnc1Cn1c(CCCN)nc2c1CCCC2 | C#CCOc1ccc(CNc2nc(NCCCc3nc4c(n3Cc3nccn3C)CCCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
590 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.Cn1ccnc1Cn1c(CCCN)nc2c1CCCC2 | C#CCOc1ccc(CNc2nc(NCCCc3nc4c(n3Cc3nccn3C)CCCC4)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
591 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.Cn1cncc1CN | C#CCOc1ccc(CNc2nc(NCc3cncn3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
592 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.Cn1cncc1CN | C#CCOc1ccc(CNc2nc(NCc3cncn3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
593 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.Cn1cncc1CN | C#CCOc1ccc(CNc2nc(NCc3cncn3C)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
594 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC#Cc1cccnc1 | C#CCOc1ccc(CNc2nc(NCC#Cc3cccnc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
595 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC#Cc1cccnc1 | C#CCOc1ccc(CNc2nc(NCC#Cc3cccnc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
596 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC#Cc1cccnc1 | C#CCOc1ccc(CNc2nc(NCC#Cc3cccnc3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
597 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC(=O)NCCN1CCOCC1 | C#CCOc1ccc(CNc2nc(NCC(=O)NCCN3CCOCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | BRD4 | 0 |
598 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC(=O)NCCN1CCOCC1 | C#CCOc1ccc(CNc2nc(NCC(=O)NCCN3CCOCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | HSA | 0 |
599 | C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | C#CCOc1ccc(CN)cc1.Cl | Cl.Cl.NCC(=O)NCCN1CCOCC1 | C#CCOc1ccc(CNc2nc(NCC(=O)NCCN3CCOCC3)nc(N[C@@H](CC#C)CC(=O)N[Dy])n2)cc1 | sEH | 0 |
Subsets and Splits