Spaces:
Sleeping
Sleeping
| { | |
| "NR-AR": [ | |
| { | |
| "name": "TESTOSTERONE ENANTHATE", | |
| "smiles": "CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1200335", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "NANDROLONE PHENPROPIONATE", | |
| "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1", | |
| "chembl_id": "CHEMBL1200412", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "OXYMETHOLONE", | |
| "smiles": "C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1200585", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "ETHYLESTRENOL", | |
| "smiles": "CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1200623", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "NANDROLONE DECANOATE", | |
| "smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1200946", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "ENOBOSARM", | |
| "smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", | |
| "chembl_id": "CHEMBL1738889", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "PRUXELUTAMIDE", | |
| "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1", | |
| "chembl_id": "CHEMBL4594417", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE PROPIONATE", | |
| "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1170", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "FLUOXYMESTERONE", | |
| "smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", | |
| "chembl_id": "CHEMBL1445", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "ENZALUTAMIDE", | |
| "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F", | |
| "chembl_id": "CHEMBL1082407", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "STANOZOLOL", | |
| "smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL2079587", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE UNDECANOATE", | |
| "smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL2107067", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "DAROLUTAMIDE", | |
| "smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", | |
| "chembl_id": "CHEMBL4297185", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "BICALUTAMIDE", | |
| "smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", | |
| "chembl_id": "CHEMBL409", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "FLUTAMIDE", | |
| "smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", | |
| "chembl_id": "CHEMBL806", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "NILUTAMIDE", | |
| "smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", | |
| "chembl_id": "CHEMBL1274", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "METHYLTESTOSTERONE", | |
| "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1395", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE", | |
| "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", | |
| "chembl_id": "CHEMBL386630", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "OXANDROLONE", | |
| "smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1200436", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "DROMOSTANOLONE PROPIONATE", | |
| "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1201048", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE CYPIONATE", | |
| "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", | |
| "chembl_id": "CHEMBL1201101", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "METHANDROSTENOLONE", | |
| "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1418176", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "APALUTAMIDE", | |
| "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", | |
| "chembl_id": "CHEMBL3183409", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "CLASCOTERONE", | |
| "smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL3590187", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "SHR3680", | |
| "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1", | |
| "chembl_id": "CHEMBL4650276", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "DANAZOL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1479", | |
| "targets": "Androgen Receptor,Progesterone receptor" | |
| }, | |
| { | |
| "name": "CYPROTERONE ACETATE", | |
| "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL139835", | |
| "targets": "Androgen Receptor,Glucocorticoid receptor,Progesterone receptor" | |
| }, | |
| { | |
| "name": "GALETERONE", | |
| "smiles": "C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12", | |
| "chembl_id": "CHEMBL2105738", | |
| "targets": "Androgen Receptor,Cytochrome P450 17A1" | |
| } | |
| ], | |
| "NR-AR-LBD": [ | |
| { | |
| "name": "TESTOSTERONE ENANTHATE", | |
| "smiles": "CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1200335", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "NANDROLONE PHENPROPIONATE", | |
| "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1", | |
| "chembl_id": "CHEMBL1200412", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "OXYMETHOLONE", | |
| "smiles": "C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1200585", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "ETHYLESTRENOL", | |
| "smiles": "CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1200623", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "NANDROLONE DECANOATE", | |
| "smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1200946", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "ENOBOSARM", | |
| "smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", | |
| "chembl_id": "CHEMBL1738889", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "PRUXELUTAMIDE", | |
| "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1", | |
| "chembl_id": "CHEMBL4594417", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE PROPIONATE", | |
| "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1170", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "FLUOXYMESTERONE", | |
| "smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", | |
| "chembl_id": "CHEMBL1445", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "ENZALUTAMIDE", | |
| "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F", | |
| "chembl_id": "CHEMBL1082407", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "STANOZOLOL", | |
| "smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL2079587", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE UNDECANOATE", | |
| "smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL2107067", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "DAROLUTAMIDE", | |
| "smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", | |
| "chembl_id": "CHEMBL4297185", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "BICALUTAMIDE", | |
| "smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", | |
| "chembl_id": "CHEMBL409", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "FLUTAMIDE", | |
| "smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", | |
| "chembl_id": "CHEMBL806", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "NILUTAMIDE", | |
| "smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", | |
| "chembl_id": "CHEMBL1274", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "METHYLTESTOSTERONE", | |
| "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1395", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE", | |
| "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", | |
| "chembl_id": "CHEMBL386630", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "OXANDROLONE", | |
| "smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1200436", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "DROMOSTANOLONE PROPIONATE", | |
| "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1201048", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "TESTOSTERONE CYPIONATE", | |
| "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", | |
| "chembl_id": "CHEMBL1201101", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "METHANDROSTENOLONE", | |
| "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", | |
| "chembl_id": "CHEMBL1418176", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "APALUTAMIDE", | |
| "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", | |
| "chembl_id": "CHEMBL3183409", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "CLASCOTERONE", | |
| "smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL3590187", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "SHR3680", | |
| "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1", | |
| "chembl_id": "CHEMBL4650276", | |
| "targets": "Androgen Receptor" | |
| }, | |
| { | |
| "name": "DANAZOL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1479", | |
| "targets": "Androgen Receptor,Progesterone receptor" | |
| }, | |
| { | |
| "name": "CYPROTERONE ACETATE", | |
| "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL139835", | |
| "targets": "Androgen Receptor,Glucocorticoid receptor,Progesterone receptor" | |
| }, | |
| { | |
| "name": "GALETERONE", | |
| "smiles": "C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12", | |
| "chembl_id": "CHEMBL2105738", | |
| "targets": "Androgen Receptor,Cytochrome P450 17A1" | |
| } | |
| ], | |
| "NR-ER": [ | |
| { | |
| "name": "ACOLBIFENE", | |
| "smiles": "CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21", | |
| "chembl_id": "CHEMBL68055", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "ARZOXIFENE", | |
| "smiles": "COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1", | |
| "chembl_id": "CHEMBL226267", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "TOREMIFENE CITRATE", | |
| "smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL1200675", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "ESTETROL", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O", | |
| "chembl_id": "CHEMBL1230314", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "DROLOXIFENE", | |
| "smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", | |
| "chembl_id": "CHEMBL487", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "LASOFOXIFENE", | |
| "smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", | |
| "chembl_id": "CHEMBL328190", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "CYCLOFENIL", | |
| "smiles": "CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1", | |
| "chembl_id": "CHEMBL141305", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "FULVESTRANT", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O", | |
| "chembl_id": "CHEMBL1358", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "ESTRIOL", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", | |
| "chembl_id": "CHEMBL193482", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "DIETHYLSTILBESTROL DIPHOSPHATE", | |
| "smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1", | |
| "chembl_id": "CHEMBL1200598", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "OSPEMIFENE", | |
| "smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", | |
| "chembl_id": "CHEMBL2105395", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "AFIMOXIFENE", | |
| "smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", | |
| "chembl_id": "CHEMBL489", | |
| "targets": "Estrogen receptor,Estrogen-related receptor gamma" | |
| }, | |
| { | |
| "name": "QUINESTROL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1201165", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "BAZEDOXIFENE ACETATE", | |
| "smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", | |
| "chembl_id": "CHEMBL2106615", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "DIETHYLSTILBESTROL", | |
| "smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", | |
| "chembl_id": "CHEMBL411", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ETHINYL ESTRADIOL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL691", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "TAMOXIFEN CITRATE", | |
| "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL786", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "DIENESTROL", | |
| "smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", | |
| "chembl_id": "CHEMBL1018", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "AMCENESTRANT", | |
| "smiles": "O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1", | |
| "chembl_id": "CHEMBL4475463", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRADIOL", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", | |
| "chembl_id": "CHEMBL135", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ENCLOMIPHENE", | |
| "smiles": "CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1", | |
| "chembl_id": "CHEMBL954", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ELACESTRANT HYDROCHLORIDE", | |
| "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1.Cl.Cl", | |
| "chembl_id": "CHEMBL4594273", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ALLYLESTRENOL", | |
| "smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL2105618", | |
| "targets": "Estrogen receptor,Progesterone receptor" | |
| }, | |
| { | |
| "name": "RALOXIFENE HYDROCHLORIDE", | |
| "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", | |
| "chembl_id": "CHEMBL1116", | |
| "targets": "Estrogen receptor beta" | |
| }, | |
| { | |
| "name": "ESTRONE", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", | |
| "chembl_id": "CHEMBL1405", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRADIOL VALERATE", | |
| "smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1511", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRADIOL ACETATE", | |
| "smiles": "CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", | |
| "chembl_id": "CHEMBL1200430", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "CHLOROTRIANISENE", | |
| "smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", | |
| "chembl_id": "CHEMBL1200761", | |
| "targets": "Estrogen receptor beta" | |
| }, | |
| { | |
| "name": "ESTRADIOL CYPIONATE", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", | |
| "chembl_id": "CHEMBL1200973", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTROPIPATE", | |
| "smiles": "C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O", | |
| "chembl_id": "CHEMBL1200980", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "MESTRANOL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1201151", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "CLOMIPHENE CITRATE", | |
| "smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL3185958", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ELACESTRANT", | |
| "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1", | |
| "chembl_id": "CHEMBL4297509", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "GIREDESTRANT", | |
| "smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO", | |
| "chembl_id": "CHEMBL4650316", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "CAMIZESTRANT", | |
| "smiles": "C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F", | |
| "chembl_id": "CHEMBL4650365", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRAMUSTINE PHOSPHATE SODIUM", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]", | |
| "chembl_id": "CHEMBL1200721", | |
| "targets": "DNA,Estrogen receptor beta" | |
| } | |
| ], | |
| "NR-ER-LBD": [ | |
| { | |
| "name": "ACOLBIFENE", | |
| "smiles": "CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21", | |
| "chembl_id": "CHEMBL68055", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "ARZOXIFENE", | |
| "smiles": "COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1", | |
| "chembl_id": "CHEMBL226267", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "TOREMIFENE CITRATE", | |
| "smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL1200675", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "ESTETROL", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O", | |
| "chembl_id": "CHEMBL1230314", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "DROLOXIFENE", | |
| "smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1", | |
| "chembl_id": "CHEMBL487", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "LASOFOXIFENE", | |
| "smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", | |
| "chembl_id": "CHEMBL328190", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "CYCLOFENIL", | |
| "smiles": "CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1", | |
| "chembl_id": "CHEMBL141305", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "FULVESTRANT", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O", | |
| "chembl_id": "CHEMBL1358", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "ESTRIOL", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", | |
| "chembl_id": "CHEMBL193482", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "DIETHYLSTILBESTROL DIPHOSPHATE", | |
| "smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1", | |
| "chembl_id": "CHEMBL1200598", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "OSPEMIFENE", | |
| "smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", | |
| "chembl_id": "CHEMBL2105395", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "AFIMOXIFENE", | |
| "smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", | |
| "chembl_id": "CHEMBL489", | |
| "targets": "Estrogen receptor,Estrogen-related receptor gamma" | |
| }, | |
| { | |
| "name": "QUINESTROL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1201165", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "BAZEDOXIFENE ACETATE", | |
| "smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", | |
| "chembl_id": "CHEMBL2106615", | |
| "targets": "Estrogen receptor" | |
| }, | |
| { | |
| "name": "DIETHYLSTILBESTROL", | |
| "smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", | |
| "chembl_id": "CHEMBL411", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ETHINYL ESTRADIOL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL691", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "TAMOXIFEN CITRATE", | |
| "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL786", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "DIENESTROL", | |
| "smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", | |
| "chembl_id": "CHEMBL1018", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "AMCENESTRANT", | |
| "smiles": "O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1", | |
| "chembl_id": "CHEMBL4475463", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRADIOL", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", | |
| "chembl_id": "CHEMBL135", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ENCLOMIPHENE", | |
| "smiles": "CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1", | |
| "chembl_id": "CHEMBL954", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ELACESTRANT HYDROCHLORIDE", | |
| "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1.Cl.Cl", | |
| "chembl_id": "CHEMBL4594273", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ALLYLESTRENOL", | |
| "smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL2105618", | |
| "targets": "Estrogen receptor,Progesterone receptor" | |
| }, | |
| { | |
| "name": "RALOXIFENE HYDROCHLORIDE", | |
| "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", | |
| "chembl_id": "CHEMBL1116", | |
| "targets": "Estrogen receptor beta" | |
| }, | |
| { | |
| "name": "ESTRONE", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", | |
| "chembl_id": "CHEMBL1405", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRADIOL VALERATE", | |
| "smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", | |
| "chembl_id": "CHEMBL1511", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRADIOL ACETATE", | |
| "smiles": "CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", | |
| "chembl_id": "CHEMBL1200430", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "CHLOROTRIANISENE", | |
| "smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", | |
| "chembl_id": "CHEMBL1200761", | |
| "targets": "Estrogen receptor beta" | |
| }, | |
| { | |
| "name": "ESTRADIOL CYPIONATE", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", | |
| "chembl_id": "CHEMBL1200973", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTROPIPATE", | |
| "smiles": "C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O", | |
| "chembl_id": "CHEMBL1200980", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "MESTRANOL", | |
| "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", | |
| "chembl_id": "CHEMBL1201151", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "CLOMIPHENE CITRATE", | |
| "smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL3185958", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ELACESTRANT", | |
| "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1", | |
| "chembl_id": "CHEMBL4297509", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "GIREDESTRANT", | |
| "smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO", | |
| "chembl_id": "CHEMBL4650316", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "CAMIZESTRANT", | |
| "smiles": "C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F", | |
| "chembl_id": "CHEMBL4650365", | |
| "targets": "Estrogen receptor alpha" | |
| }, | |
| { | |
| "name": "ESTRAMUSTINE PHOSPHATE SODIUM", | |
| "smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]", | |
| "chembl_id": "CHEMBL1200721", | |
| "targets": "DNA,Estrogen receptor beta" | |
| } | |
| ], | |
| "NR-AhR": [ | |
| { | |
| "name": "TAPINAROF", | |
| "smiles": "CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O", | |
| "chembl_id": "CHEMBL259571", | |
| "targets": "Aryl hydrocarbon receptor" | |
| } | |
| ], | |
| "NR-PPAR-gamma": [ | |
| { | |
| "name": "SEMAGACESTAT", | |
| "smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21", | |
| "chembl_id": "CHEMBL520733", | |
| "targets": "Gamma-secretase" | |
| }, | |
| { | |
| "name": "TARENFLURBIL", | |
| "smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", | |
| "chembl_id": "CHEMBL190083", | |
| "targets": "Gamma-secretase" | |
| }, | |
| { | |
| "name": "NIROGACESTAT", | |
| "smiles": "CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1", | |
| "chembl_id": "CHEMBL1770916", | |
| "targets": "Gamma-secretase" | |
| }, | |
| { | |
| "name": "PALOVAROTENE", | |
| "smiles": "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21", | |
| "chembl_id": "CHEMBL2105648", | |
| "targets": "Retinoic acid receptor gamma" | |
| }, | |
| { | |
| "name": "TROGLITAZONE", | |
| "smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2", | |
| "chembl_id": "CHEMBL408", | |
| "targets": "Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "PIOGLITAZONE HYDROCHLORIDE", | |
| "smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl", | |
| "chembl_id": "CHEMBL1715", | |
| "targets": "Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "RIVOGLITAZONE", | |
| "smiles": "COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1", | |
| "chembl_id": "CHEMBL2104753", | |
| "targets": "Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "TRIFAROTENE", | |
| "smiles": "CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1", | |
| "chembl_id": "CHEMBL3707313", | |
| "targets": "Retinoic acid receptor gamma" | |
| }, | |
| { | |
| "name": "BEZAFIBRATE", | |
| "smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL264374", | |
| "targets": "Peroxisome proliferator-activated receptor" | |
| }, | |
| { | |
| "name": "MURAGLITAZAR", | |
| "smiles": "COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1", | |
| "chembl_id": "CHEMBL186179", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "LANIFIBRANOR", | |
| "smiles": "O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1", | |
| "chembl_id": "CHEMBL4091374", | |
| "targets": "Peroxisome proliferator-activated receptor" | |
| }, | |
| { | |
| "name": "CHIGLITAZAR", | |
| "smiles": "O=C(c1ccc(F)cc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL4650349", | |
| "targets": "Peroxisome proliferator-activated receptor" | |
| }, | |
| { | |
| "name": "ALEGLITAZAR", | |
| "smiles": "CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O", | |
| "chembl_id": "CHEMBL519504", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "IMIGLITAZAR", | |
| "smiles": "Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\\CCC(=O)O)c2ccccc2)cc1", | |
| "chembl_id": "CHEMBL592054", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "ELAFIBRANOR", | |
| "smiles": "CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1", | |
| "chembl_id": "CHEMBL3707395", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor delta" | |
| }, | |
| { | |
| "name": "MK-0767", | |
| "smiles": "COc1ccc(CC2OC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1", | |
| "chembl_id": "CHEMBL4297404", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "FENOFIBRIC ACID", | |
| "smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL981", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "PEMAFIBRATE", | |
| "smiles": "CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O", | |
| "chembl_id": "CHEMBL247951", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "TESAGLITAZAR", | |
| "smiles": "CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL282686", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "SAROGLITAZAR", | |
| "smiles": "CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL4297530", | |
| "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "CIPROFIBRATE", | |
| "smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL557555", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "FONADELPAR", | |
| "smiles": "Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OCC(=O)O", | |
| "chembl_id": "CHEMBL3545186", | |
| "targets": "Peroxisome proliferator-activated receptor delta" | |
| }, | |
| { | |
| "name": "GEMFIBROZIL", | |
| "smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", | |
| "chembl_id": "CHEMBL457", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "CLOFIBRATE", | |
| "smiles": "CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1", | |
| "chembl_id": "CHEMBL565", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "FENOFIBRATE", | |
| "smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", | |
| "chembl_id": "CHEMBL672", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "ROSIGLITAZONE MALEATE", | |
| "smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O", | |
| "chembl_id": "CHEMBL843", | |
| "targets": "Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "LERIGLITAZONE", | |
| "smiles": "CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", | |
| "chembl_id": "CHEMBL1267", | |
| "targets": "Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "SELADELPAR", | |
| "smiles": "CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1", | |
| "chembl_id": "CHEMBL230158", | |
| "targets": "Peroxisome proliferator-activated receptor delta" | |
| }, | |
| { | |
| "name": "CHOLINE FENOFIBRATE", | |
| "smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO", | |
| "chembl_id": "CHEMBL1201745", | |
| "targets": "Peroxisome proliferator-activated receptor alpha" | |
| }, | |
| { | |
| "name": "BALAGLITAZONE", | |
| "smiles": "Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O", | |
| "chembl_id": "CHEMBL2103991", | |
| "targets": "Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "BALSALAZIDE DISODIUM", | |
| "smiles": "O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]", | |
| "chembl_id": "CHEMBL1200760", | |
| "targets": "Arachidonate 5-lipoxygenase,Cyclooxygenase,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "MESALAMINE", | |
| "smiles": "Nc1ccc(O)c(C(=O)O)c1", | |
| "chembl_id": "CHEMBL704", | |
| "targets": "Arachidonate 5-lipoxygenase,Cyclooxygenase,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "OLSALAZINE SODIUM", | |
| "smiles": "O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]", | |
| "chembl_id": "CHEMBL1201013", | |
| "targets": "Arachidonate 5-lipoxygenase,Cyclooxygenase,Peroxisome proliferator-activated receptor gamma" | |
| }, | |
| { | |
| "name": "BARDOXOLONE METHYL", | |
| "smiles": "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2", | |
| "chembl_id": "CHEMBL1762621", | |
| "targets": "Inhibitor of nuclear factor kappa B kinase beta subunit,Keap1/Nrf2,Peroxisome proliferator-activated receptor gamma" | |
| } | |
| ], | |
| "SR-p53": [ | |
| { | |
| "name": "EPRENETAPOPT", | |
| "smiles": "COCC1(CO)C(=O)C2CCN1CC2", | |
| "chembl_id": "CHEMBL3186011", | |
| "targets": "Cellular tumor antigen p53" | |
| }, | |
| { | |
| "name": "IDASANUTLIN", | |
| "smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F", | |
| "chembl_id": "CHEMBL2402737", | |
| "targets": "Tumour suppressor p53/oncoprotein Mdm2" | |
| } | |
| ], | |
| "SR-MMP": [ | |
| { | |
| "name": "TOPOTECAN HYDROCHLORIDE", | |
| "smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl", | |
| "chembl_id": "CHEMBL1607", | |
| "targets": "DNA topoisomerase I, mitochondrial" | |
| }, | |
| { | |
| "name": "CARGLUMIC ACID", | |
| "smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", | |
| "chembl_id": "CHEMBL1201780", | |
| "targets": "Carbamoyl-phosphate synthase [ammonia], mitochondrial" | |
| }, | |
| { | |
| "name": "ENASIDENIB MESYLATE", | |
| "smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)O", | |
| "chembl_id": "CHEMBL3989931", | |
| "targets": "Isocitrate dehydrogenase [NADP], mitochondrial" | |
| }, | |
| { | |
| "name": "OLOROFIM", | |
| "smiles": "Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C", | |
| "chembl_id": "CHEMBL4297609", | |
| "targets": "Dihydroorotate dehydrogenase (quinone), mitochondrial" | |
| }, | |
| { | |
| "name": "METFORMIN HYDROCHLORIDE", | |
| "smiles": "CN(C)C(=N)NC(=N)N.Cl", | |
| "chembl_id": "CHEMBL1703", | |
| "targets": "Mitochondrial complex I (NADH dehydrogenase),Mitochondrial glycerol-3-phosphate dehydrogenase" | |
| } | |
| ], | |
| "SR-HSE": [ | |
| { | |
| "name": "RETASPIMYCIN HYDROCHLORIDE", | |
| "smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2.Cl", | |
| "chembl_id": "CHEMBL377559", | |
| "targets": "Heat shock protein HSP90" | |
| }, | |
| { | |
| "name": "TANESPIMYCIN", | |
| "smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O", | |
| "chembl_id": "CHEMBL109480", | |
| "targets": "Heat shock protein HSP90" | |
| }, | |
| { | |
| "name": "GANETESPIB", | |
| "smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O", | |
| "chembl_id": "CHEMBL2103879", | |
| "targets": "Heat shock protein HSP90" | |
| }, | |
| { | |
| "name": "FORIGERIMOD ACETATE", | |
| "smiles": "CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O", | |
| "chembl_id": "CHEMBL3989801", | |
| "targets": "Heat shock cognate 71 kDa protein" | |
| }, | |
| { | |
| "name": "PLECANATIDE", | |
| "smiles": "CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O", | |
| "chembl_id": "CHEMBL2103867", | |
| "targets": "Heat-stable enterotoxin receptor" | |
| }, | |
| { | |
| "name": "LINACLOTIDE", | |
| "smiles": "C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2", | |
| "chembl_id": "CHEMBL3301675", | |
| "targets": "Heat-stable enterotoxin receptor" | |
| } | |
| ], | |
| "SR-ATAD5": [ | |
| { | |
| "name": "PENTAMIDINE ISETHIONATE", | |
| "smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO", | |
| "chembl_id": "CHEMBL361506", | |
| "targets": "DNA,Kinetoplast DNA" | |
| }, | |
| { | |
| "name": "DACARBAZINE", | |
| "smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O", | |
| "chembl_id": "CHEMBL476", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "LOMUSTINE", | |
| "smiles": "O=NN(CCCl)C(=O)NC1CCCCC1", | |
| "chembl_id": "CHEMBL514", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "NITROFURANTOIN", | |
| "smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", | |
| "chembl_id": "CHEMBL572", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "IDOXURIDINE", | |
| "smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", | |
| "chembl_id": "CHEMBL788", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "BUSULFAN", | |
| "smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", | |
| "chembl_id": "CHEMBL820", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "PALIFOSFAMIDE", | |
| "smiles": "O=P(O)(NCCCl)NCCCl", | |
| "chembl_id": "CHEMBL889", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "TIRAPAZAMINE", | |
| "smiles": "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]", | |
| "chembl_id": "CHEMBL50882", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "IFOSFAMIDE", | |
| "smiles": "O=P1(NCCCl)OCCCN1CCCl", | |
| "chembl_id": "CHEMBL1024", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "FURAZOLIDONE", | |
| "smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1", | |
| "chembl_id": "CHEMBL1103", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "CLOFAZIMINE", | |
| "smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", | |
| "chembl_id": "CHEMBL1292", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "ALTRETAMINE", | |
| "smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", | |
| "chembl_id": "CHEMBL1455", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "TRIOXSALEN", | |
| "smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", | |
| "chembl_id": "CHEMBL1475", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "URACIL MUSTARD", | |
| "smiles": "Oc1ncc(N(CCCl)CCCl)c(O)n1", | |
| "chembl_id": "CHEMBL1488", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "DACTINOMYCIN", | |
| "smiles": "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O", | |
| "chembl_id": "CHEMBL1554", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "CLADRIBINE", | |
| "smiles": "Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1", | |
| "chembl_id": "CHEMBL1619", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "FOTEMUSTINE", | |
| "smiles": "CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O", | |
| "chembl_id": "CHEMBL549386", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "CHLOROXINE", | |
| "smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", | |
| "chembl_id": "CHEMBL1200596", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "METRONIDAZOLE HYDROCHLORIDE", | |
| "smiles": "Cc1ncc([N+](=O)[O-])n1CCO.Cl", | |
| "chembl_id": "CHEMBL1200869", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "METHYL AMINOLEVULINATE HYDROCHLORIDE", | |
| "smiles": "COC(=O)CCC(=O)CN.Cl", | |
| "chembl_id": "CHEMBL1201093", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "NELARABINE", | |
| "smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", | |
| "chembl_id": "CHEMBL1201112", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "PIXANTRONE DIMALEATE", | |
| "smiles": "NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O", | |
| "chembl_id": "CHEMBL2103844", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "SAPACITABINE", | |
| "smiles": "CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1", | |
| "chembl_id": "CHEMBL2105681", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "MELPHALAN FLUFENAMIDE HYDROCHLORIDE", | |
| "smiles": "CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1.Cl", | |
| "chembl_id": "CHEMBL4297403", | |
| "targets": "DNA" | |
| }, | |
| { | |
| "name": "VOSAROXIN", | |
| "smiles": "CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC", | |
| "chembl_id": "CHEMBL68117", | |
| "targets": "DNA,DNA topoisomerase II" | |
| } | |
| ] | |
| } |