Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with all data for entry = 50039191   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human glucocorticoid receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50321202 (CHEMBL1163602 | rac-3-(4-Nitrophenylamino)-1-(4-cy...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C#N)c2ccsc2)cc1 Show InChI InChI=1S/C20H15N3O3S/c21-12-14-1-3-15(4-2-14)20(24)11-19(16-9-10-27-13-16)22-17-5-7-18(8-6-17)23(25)26/h1-10,13,19,22H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321197 (CHEMBL1163480 | rac-3-(4-Nitrophenylamino)-1-(4-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23ClN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321198 (CHEMBL1163481 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23FN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321199 (CHEMBL1163485 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23FN2O3/c22-17-8-4-7-16(13-17)21(25)14-20(15-5-2-1-3-6-15)23-18-9-11-19(12-10-18)24(26)27/h4,7-13,15,20,23H,1-3,5-6,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321211 (CHEMBL1163529 | rac-3-(4-Nitrophenylamino)-1-(3,4-...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)c(Cl)c2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H22Cl2N2O3/c22-18-11-6-15(12-19(18)23)21(26)13-20(14-4-2-1-3-5-14)24-16-7-9-17(10-8-16)25(27)28/h6-12,14,20,24H,1-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321196 (CHEMBL1164752 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23BrN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321201 (CHEMBL1164379 | rac-3-(4-Nitrophenylamino)-3-(thio...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccsc1 Show InChI InChI=1S/C20H18N2O3S/c1-14-2-4-15(5-3-14)20(23)12-19(16-10-11-26-13-16)21-17-6-8-18(9-7-17)22(24)25/h2-11,13,19,21H,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321182 (CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321200 (CHEMBL1163484 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O4/c1-28-20-9-5-8-17(14-20)22(25)15-21(16-6-3-2-4-7-16)23-18-10-12-19(13-11-18)24(26)27/h5,8-14,16,21,23H,2-4,6-7,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321195 (CHEMBL1164858 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O3/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)23-19-11-13-20(14-12-19)24(26)27/h7-14,17,21,23H,2-6,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321212 (CHEMBL1165353 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H24N2O3/c24-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)22-18-11-13-19(14-12-18)23(25)26/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321184 (CHEMBL1163746 | rac-3-(4-Nitrophenylamino)-1-(4-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16ClFN2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321180 (CHEMBL1163899 | rac-3-(4-Nitrophenylamino)-3-(4-(t...) Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O4/c1-32-20-12-4-16(5-13-20)22(29)14-21(15-2-6-17(7-3-15)23(24,25)26)27-18-8-10-19(11-9-18)28(30)31/h2-13,21,27H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321203 (CHEMBL1163604 | rac-3-(4-Nitrophenylamino)-3-pheny...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 Show InChI InChI=1S/C22H20N2O3/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)23-19-11-13-20(14-12-19)24(26)27/h2-14,21,23H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321177 (CHEMBL1163597 | rac-3-(4-Nitrophenylamino)-1-(3-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16ClFN2O3/c22-16-5-1-4-15(11-16)21(26)13-20(14-3-2-6-17(23)12-14)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321220 ((-)-R-3-(4-Nitrophenylamino)-3-(3-fluorophenyl)-1-...) Show SMILES Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321213 (CHEMBL1164248 | rac-3-(4-Nitrophenylamino)-1-(4-ph...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)C2CCCCC2)cc1 Show InChI InChI=1S/C27H28N2O3/c30-27(23-13-11-21(12-14-23)20-7-3-1-4-8-20)19-26(22-9-5-2-6-10-22)28-24-15-17-25(18-16-24)29(31)32/h1,3-4,7-8,11-18,22,26,28H,2,5-6,9-10,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321178 (CHEMBL1163644 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16F2N2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321179 (CHEMBL1163898 | rac-3-(4-Nitrophenylamino)-3-(4-(t...) Show SMILES COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O4/c1-32-20-4-2-3-16(13-20)22(29)14-21(15-5-7-17(8-6-15)23(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h2-13,21,27H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321220 ((-)-R-3-(4-Nitrophenylamino)-3-(3-fluorophenyl)-1-...) Show SMILES Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321208 (CHEMBL1163976 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 Show InChI InChI=1S/C22H19FN2O3/c1-15-4-2-6-17(12-15)22(26)14-21(16-5-3-7-18(23)13-16)24-19-8-10-20(11-9-19)25(27)28/h2-13,21,24H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321196 (CHEMBL1164752 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23BrN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321210 (CHEMBL1163645 | rac-3-(4-Nitrophenylamino)-1-(3-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Br)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16BrFN2O3/c22-16-5-1-4-15(11-16)21(26)13-20(14-3-2-6-17(23)12-14)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321182 (CHEMBL1165483 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1 Show InChI InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321185 (CHEMBL1163747 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16BrFN2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321185 (CHEMBL1163747 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16BrFN2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321184 (CHEMBL1163746 | rac-3-(4-Nitrophenylamino)-1-(4-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16ClFN2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321197 (CHEMBL1163480 | rac-3-(4-Nitrophenylamino)-1-(4-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23ClN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321209 (CHEMBL1164485 | rac-3-(4-Nitrophenylamino)-1,3-bis...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16F2N2O3/c22-16-5-1-3-14(11-16)20(13-21(26)15-4-2-6-17(23)12-15)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321191 (CHEMBL1163625 | rac-3-(4-Nitrophenylamino)-3-(4-(t...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F4N2O3/c23-17-3-1-2-15(12-17)21(29)13-20(14-4-6-16(7-5-14)22(24,25)26)27-18-8-10-19(11-9-18)28(30)31/h1-12,20,27H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321183 (CHEMBL1163646 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H17FN2O3/c22-17-8-4-7-16(13-17)20(14-21(25)15-5-2-1-3-6-15)23-18-9-11-19(12-10-18)24(26)27/h1-13,20,23H,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321186 (CHEMBL1165642 | rac-3-(4-Nitrophenylamino)-1-(4-ph...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C27H21FN2O3/c28-23-8-4-7-22(17-23)26(29-24-13-15-25(16-14-24)30(32)33)18-27(31)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-17,26,29H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321214 (CHEMBL1164338 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)C2CCCCC2)cc1 Show InChI InChI=1S/C27H34N2O3/c30-27(23-13-11-21(12-14-23)20-7-3-1-4-8-20)19-26(22-9-5-2-6-10-22)28-24-15-17-25(18-16-24)29(31)32/h11-18,20,22,26,28H,1-10,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321209 (CHEMBL1164485 | rac-3-(4-Nitrophenylamino)-1,3-bis...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16F2N2O3/c22-16-5-1-3-14(11-16)20(13-21(26)15-4-2-6-17(23)12-15)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321176 (CHEMBL1163598 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 Show InChI InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321193 (CHEMBL1163822 | rac-3-(4-Nitrophenylamino)-1-(3-cy...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(c2)C#N)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C23H16F3N3O3/c24-23(25,26)18-6-4-16(5-7-18)21(28-19-8-10-20(11-9-19)29(31)32)13-22(30)17-3-1-2-15(12-17)14-27/h1-12,21,28H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321189 (CHEMBL1163717 | rac-3-(4-Nitrophenylamino)-1-(3-ch...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H16ClFN2O3/c22-16-3-1-2-15(12-16)21(26)13-20(14-4-6-17(23)7-5-14)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321183 (CHEMBL1163646 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H17FN2O3/c22-17-8-4-7-16(13-17)20(14-21(25)15-5-2-1-3-6-15)23-18-9-11-19(12-10-18)24(26)27/h1-13,20,23H,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321199 (CHEMBL1163485 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23FN2O3/c22-17-8-4-7-16(13-17)21(25)14-20(15-5-2-1-3-6-15)23-18-9-11-19(12-10-18)24(26)27/h4,7-13,15,20,23H,1-3,5-6,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321198 (CHEMBL1163481 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H23FN2O3/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)23-18-10-12-19(13-11-18)24(26)27/h6-13,15,20,23H,1-5,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321208 (CHEMBL1163976 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 Show InChI InChI=1S/C22H19FN2O3/c1-15-4-2-6-17(12-15)22(26)14-21(16-5-3-7-18(23)13-16)24-19-8-10-20(11-9-19)25(27)28/h2-13,21,24H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321181 (CHEMBL1164857 | rac-3-(4-Nitrophenylamino)-1-(4-br...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16BrF3N2O3/c23-17-7-3-15(4-8-17)21(29)13-20(14-1-5-16(6-2-14)22(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h1-12,20,27H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321203 (CHEMBL1163604 | rac-3-(4-Nitrophenylamino)-3-pheny...) Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 Show InChI InChI=1S/C22H20N2O3/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)23-19-11-13-20(14-12-19)24(26)27/h2-14,21,23H,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50321178 (CHEMBL1163644 | rac-3-(4-Nitrophenylamino)-3-(3-fl...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C21H16F2N2O3/c22-16-6-4-14(5-7-16)21(26)13-20(15-2-1-3-17(23)12-15)24-18-8-10-19(11-9-18)25(27)28/h1-12,20,24H,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50321212 (CHEMBL1165353 | rac-3-(4-Nitrophenylamino)-3-cyclo...) Show SMILES [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)C2CCCCC2)cc1 Show InChI InChI=1S/C21H24N2O3/c24-21(17-9-5-2-6-10-17)15-20(16-7-3-1-4-8-16)22-18-11-13-19(14-12-18)23(25)26/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting				Bioorg Med Chem 18: 4255-68 (2010) Article DOI: 10.1016/j.bmc.2010.04.092 BindingDB Entry DOI: 10.7270/Q2QN67RQ
					More data for this Ligand-Target Pair

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