id int64 295M 297M | buildingblock1_smiles stringclasses 341
values | buildingblock2_smiles stringlengths 7 54 | buildingblock3_smiles stringlengths 7 43 | molecule_smiles stringlengths 40 127 | protein_name stringclasses 3
values |
|---|---|---|---|---|---|
295,246,830 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | C=Cc1ccc(N)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,831 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | C=Cc1ccc(N)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,832 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | C=Cc1ccc(N)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,833 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | BRD4 |
295,246,834 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | HSA |
295,246,835 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | sEH |
295,246,836 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,837 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,838 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,839 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | BRD4 |
295,246,840 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | HSA |
295,246,841 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | sEH |
295,246,842 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CSC1CCC(CN)CC1 | C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,843 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CSC1CCC(CN)CC1 | C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,844 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | CSC1CCC(CN)CC1 | C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,845 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,846 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,847 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,848 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl | C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,849 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl | C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,850 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl | C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,851 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,852 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,853 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,854 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,855 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,856 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,857 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,858 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,859 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,860 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,861 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,862 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,863 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,864 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,865 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,866 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1cc(Cl)sc1Cl | C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,867 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1cc(Cl)sc1Cl | C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,868 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1cc(Cl)sc1Cl | C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,869 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1nnc(S)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,870 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1nnc(S)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,871 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Cl.NCc1nnc(S)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,872 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | NCCN1C(=O)Cc2ccccc21 | C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,873 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | NCCN1C(=O)Cc2ccccc21 | C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,874 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | NCCN1C(=O)Cc2ccccc21 | C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,875 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | NCc1ccncc1 | C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,876 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | NCc1ccncc1 | C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | HSA |
295,246,877 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | NCc1ccncc1 | C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy] | sEH |
295,246,878 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1cc(C(F)(F)F)ccn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy] | BRD4 |
295,246,879 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1cc(C(F)(F)F)ccn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy] | HSA |
295,246,880 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1cc(C(F)(F)F)ccn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy] | sEH |
295,246,881 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ccc(N2CCCCC2)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(N3CCCCC3)cc2)n1)C(=O)N[Dy] | BRD4 |
295,246,882 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ccc(N2CCCCC2)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(N3CCCCC3)cc2)n1)C(=O)N[Dy] | HSA |
295,246,883 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ccc(N2CCCCC2)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(N3CCCCC3)cc2)n1)C(=O)N[Dy] | sEH |
295,246,884 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ccc2[nH]cnc2c1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy] | BRD4 |
295,246,885 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ccc2[nH]cnc2c1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy] | HSA |
295,246,886 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ccc2[nH]cnc2c1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy] | sEH |
295,246,887 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1cccc2cn[nH]c12 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy] | BRD4 |
295,246,888 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1cccc2cn[nH]c12 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy] | HSA |
295,246,889 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1cccc2cn[nH]c12 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy] | sEH |
295,246,890 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1nccnn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2nccnn2)n1)C(=O)N[Dy] | BRD4 |
295,246,891 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1nccnn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2nccnn2)n1)C(=O)N[Dy] | HSA |
295,246,892 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1nccnn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2nccnn2)n1)C(=O)N[Dy] | sEH |
295,246,893 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | BRD4 |
295,246,894 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | HSA |
295,246,895 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | C=Cc1ccc(N)cc1 | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | sEH |
295,246,896 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | BRD4 |
295,246,897 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | HSA |
295,246,898 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | sEH |
295,246,899 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | BRD4 |
295,246,900 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | HSA |
295,246,901 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | sEH |
295,246,902 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | BRD4 |
295,246,903 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | HSA |
295,246,904 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | sEH |
295,246,905 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | BRD4 |
295,246,906 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | HSA |
295,246,907 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | sEH |
295,246,908 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | BRD4 |
295,246,909 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | HSA |
295,246,910 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC(O)Cn1cnc2c(N)ncnc21 | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | sEH |
295,246,911 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy] | BRD4 |
295,246,912 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy] | HSA |
295,246,913 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy] | sEH |
295,246,914 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy] | BRD4 |
295,246,915 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy] | HSA |
295,246,916 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy] | sEH |
295,246,917 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | BRD4 |
295,246,918 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | HSA |
295,246,919 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | CC1(C)CCCC1(O)CN | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | sEH |
295,246,920 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | BRD4 |
295,246,921 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | HSA |
295,246,922 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | sEH |
295,246,923 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | BRD4 |
295,246,924 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | HSA |
295,246,925 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | sEH |
295,246,926 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | BRD4 |
295,246,927 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | HSA |
295,246,928 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy] | sEH |
295,246,929 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COC(=O)c1cc(Cl)sc1N | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | BRD4 |
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