id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
|---|---|---|---|---|---|---|
295,246,200 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCC(F)(F)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC(F)(F)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,201 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCC(F)(F)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC(F)(F)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,202 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCC(F)(F)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC(F)(F)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,203 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCC2CC2C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,204 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCC2CC2C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,205 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCC2CC2C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,206 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCCCC(F)(F)C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCCC(F)(F)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,207 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCCCC(F)(F)C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCCC(F)(F)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,208 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCCCC(F)(F)C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCCC(F)(F)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,209 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCCn2ccnc21 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCn3ccnc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,210 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCCn2ccnc21 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCn3ccnc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,211 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCCn2ccnc21 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCCn3ccnc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,212 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCN(c2ccncc2)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,213 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCN(c2ccncc2)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,214 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CCN(c2ccncc2)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,215 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CN2CCN1CC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CN3CCN2CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,216 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CN2CCN1CC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CN3CCN2CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,217 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CN2CCN1CC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CN3CCN2CC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,218 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CS(=O)(=O)c2ccccc21 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CS(=O)(=O)c3ccccc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,219 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CS(=O)(=O)c2ccccc21 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CS(=O)(=O)c3ccccc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,220 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CS(=O)(=O)c2ccccc21 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CS(=O)(=O)c3ccccc32)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,221 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CSCCN1Cc1ccccc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CSCCN2Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,222 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CSCCN1Cc1ccccc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CSCCN2Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,223 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCC1CSCCN1Cc1ccccc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CSCCN2Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,224 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(=O)N1CCN(c2ccccn2)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)N2CCN(c3ccccn3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,225 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(=O)N1CCN(c2ccccn2)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)N2CCN(c3ccccn3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,226 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(=O)N1CCN(c2ccccn2)CC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)N2CCN(c3ccccn3)CC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,227 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(=O)NCc1ccncc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)NCc2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,228 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(=O)NCc1ccncc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)NCc2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,229 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(=O)NCc1ccncc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(=O)NCc2ccncc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,230 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(O)C1CCCC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(O)C2CCCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,231 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(O)C1CCCC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(O)C2CCCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,232 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC(O)C1CCCC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC(O)C2CCCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,233 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC1CCOC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC2CCOC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,234 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC1CCOC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC2CCOC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,235 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCC1CCOC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCC2CCOC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,236 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCCc1cc(=O)[nH][nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCCc2cc(=O)[nH][nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,237 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCCc1cc(=O)[nH][nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCCc2cc(=O)[nH][nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,238 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCCc1cc(=O)[nH][nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCCc2cc(=O)[nH][nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,239 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCN1CCCOCC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CCCOCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,240 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCN1CCCOCC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CCCOCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,241 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCN1CCCOCC1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CCCOCC2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,242 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCN1CC[C@@H](O)C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CC[C@@H](O)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,243 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCN1CC[C@@H](O)C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CC[C@@H](O)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,244 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCN1CC[C@@H](O)C1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCN2CC[C@@H](O)C2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,245 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCNC(=O)c1cccnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,246 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCNC(=O)c1cccnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,247 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCNC(=O)c1cccnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,248 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCOc1cccnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCOc2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,249 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCOc1cccnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCOc2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,250 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCOc1cccnc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCOc2cccnc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,251 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCS(=O)Cc1ccccc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCS(=O)Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,252 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCS(=O)Cc1ccccc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCS(=O)Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,253 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCS(=O)Cc1ccccc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCS(=O)Cc2ccccc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,254 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ccc(N2CCOCC2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,255 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ccc(N2CCOCC2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,256 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ccc(N2CCOCC2)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccc(N3CCOCC3)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,257 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ccncc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,258 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ccncc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,259 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ccncc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ccncc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,260 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ncc(Br)s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ncc(Br)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,261 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ncc(Br)s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ncc(Br)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,262 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1ncc(Br)s1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2ncc(Br)s2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,263 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1nccc(C2CC2)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2nccc(C3CC3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,264 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1nccc(C2CC2)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2nccc(C3CC3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,265 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCCc1nccc(C2CC2)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCCc2nccc(C3CC3)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,266 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NC[C@@H]1CCC(=O)N1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2CCC(=O)N2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,267 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NC[C@@H]1CCC(=O)N1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2CCC(=O)N2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,268 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NC[C@@H]1CCC(=O)N1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2CCC(=O)N2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,269 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NC[C@@H]1C[C@@H]2C=C[C@H]1C2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,270 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NC[C@@H]1C[C@@H]2C=C[C@H]1C2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,271 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NC[C@@H]1C[C@@H]2C=C[C@H]1C2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,272 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1c(Br)cncc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2c(Br)cncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,273 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1c(Br)cncc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2c(Br)cncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,274 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1c(Br)cncc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2c(Br)cncc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,275 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc(C(F)F)on1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(C(F)F)on2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,276 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc(C(F)F)on1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(C(F)F)on2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,277 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc(C(F)F)on1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(C(F)F)on2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,278 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc(F)cc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,279 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc(F)cc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,280 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc(F)cc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,281 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc2c(s1)CCSC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc3c(s2)CCSC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,282 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc2c(s1)CCSC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc3c(s2)CCSC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,283 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1cc2c(s1)CCSC2 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cc3c(s2)CCSC3)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,284 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(C(=O)N2CCCC2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(C(=O)N3CCCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,285 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(C(=O)N2CCCC2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(C(=O)N3CCCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,286 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(C(=O)N2CCCC2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(C(=O)N3CCCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,287 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(CN2CCCC2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3CCCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,288 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(CN2CCCC2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3CCCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,289 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(CN2CCCC2=O)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3CCCC3=O)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,290 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(F)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(F)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,291 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(F)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(F)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,292 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(F)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(F)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,293 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(N2CCOCC2)cc1C(F)(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,294 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(N2CCOCC2)cc1C(F)(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,295 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(N2CCOCC2)cc1C(F)(F)F | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,296 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(NC(=O)c2ccco2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(NC(=O)c3ccco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,297 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(NC(=O)c2ccco2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(NC(=O)c3ccco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,298 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | NCc1ccc(NC(=O)c2ccco2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(NC(=O)c3ccco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,299 | [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] | BRD4 | 0 |