id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
|---|---|---|---|---|---|---|
295,246,300 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(Oc2cccnc2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(Oc3cccnc3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,301 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(Oc2cccnc2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(Oc3cccnc3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,302 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(C(=O)N2CCCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(=O)N3CCCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,303 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(C(=O)N2CCCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(=O)N3CCCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,304 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(C(=O)N2CCCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(=O)N3CCCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,305 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,306 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,307 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,308 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(N2CCOCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,309 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(N2CCOCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,310 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc(N2CCOCC2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc(N3CCOCC3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,311 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc2c1OCO2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc3c2OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,312 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc2c1OCO2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc3c2OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,313 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccc2c1OCO2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccc3c2OCO3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,314 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccccc1CN1CCCC1=O | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccccc2CN2CCCC2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,315 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccccc1CN1CCCC1=O | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccccc2CN2CCCC2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,316 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccccc1CN1CCCC1=O | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccccc2CN2CCCC2=O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,317 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccnc1OC(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccnc2OC(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,318 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccnc1OC(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccnc2OC(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,319 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cccnc1OC(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccnc2OC(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,320 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccnc(-n2cncn2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccnc(-n3cncn3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,321 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccnc(-n2cncn2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccnc(-n3cncn3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,322 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccnc(-n2cncn2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccnc(-n3cncn3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,323 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccncn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,324 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccncn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,325 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccncn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccncn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,326 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccon1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccon2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,327 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccon1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccon2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,328 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccon1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccon2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,329 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccsc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,330 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccsc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,331 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccsc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,332 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccsc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,333 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccsc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,334 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccsc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccsc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,335 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn(-c2ccccc2)nc1-c1ccncc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,336 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn(-c2ccccc2)nc1-c1ccncc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,337 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn(-c2ccccc2)nc1-c1ccncc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,338 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn(C(F)F)c2ccccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(C(F)F)c3ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,339 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn(C(F)F)c2ccccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(C(F)F)c3ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,340 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn(C(F)F)c2ccccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn(C(F)F)c3ccccc23)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,341 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn2cc(Cl)ccc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,342 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn2cc(Cl)ccc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,343 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn2cc(Cl)ccc2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,344 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn2cccc(F)c2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cccc(F)c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,345 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn2cccc(F)c2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cccc(F)c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,346 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cn2cccc(F)c2n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cn3cccc(F)c3n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,347 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(-c2ccccc2)o1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,348 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(-c2ccccc2)o1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,349 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(-c2ccccc2)o1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,350 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(-c2ccccc2)s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,351 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(-c2ccccc2)s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,352 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(-c2ccccc2)s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,353 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(N2CCOCC2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,354 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(N2CCOCC2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,355 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnc(N2CCOCC2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,356 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnn(Cc2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnn(Cc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,357 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnn(Cc2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnn(Cc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,358 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnn(Cc2ccccc2)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnn(Cc3ccccc3)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,359 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnns1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,360 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnns1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,361 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cnns1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,362 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc(-c2ccsc2)no1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc(-c3ccsc3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,363 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc(-c2ccsc2)no1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc(-c3ccsc3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,364 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc(-c2ccsc2)no1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc(-c3ccsc3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,365 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2c(s1)CCCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,366 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2c(s1)CCCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,367 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2c(s1)CCCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,368 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2c(s1)CCCCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,369 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2c(s1)CCCCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,370 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2c(s1)CCCCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3c(s2)CCCCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,371 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2ccccc2s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,372 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2ccccc2s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,373 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nc2ccccc2s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nc3ccccc3s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,374 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nccs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,375 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nccs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,376 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1nccs1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2nccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,377 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1noc2c1COCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2noc3c2COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,378 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1noc2c1COCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2noc3c2COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,379 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1noc2c1COCC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2noc3c2COCC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,380 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1sncc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2sncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,381 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1sncc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2sncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,382 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1sncc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2sncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,383 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1[nH]c(=O)ncc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2[nH]c(=O)ncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,384 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1[nH]c(=O)ncc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2[nH]c(=O)ncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,385 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1[nH]c(=O)ncc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2[nH]c(=O)ncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,386 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1c(F)cccc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(F)cccc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,387 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1c(F)cccc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(F)cccc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,388 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1c(F)cccc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(F)cccc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,389 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1c(O)ncnc1O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(O)ncnc2O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,390 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1c(O)ncnc1O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(O)ncnc2O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,391 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1c(O)ncnc1O | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2c(O)ncnc2O)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,392 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(-c2cccc(Br)c2)no1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3cccc(Br)c3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,393 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(-c2cccc(Br)c2)no1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3cccc(Br)c3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,394 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(-c2cccc(Br)c2)no1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3cccc(Br)c3)no2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,395 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(-c2ccccc2)[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,396 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(-c2ccccc2)[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,397 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(-c2ccccc2)[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,398 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(=O)[nH]c(=O)[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,399 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(=O)[nH]c(=O)[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |