Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50037461   

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	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50154006 (17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...) Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25| Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/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	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154006 (17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...) Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25| Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/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	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154003 (11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...) Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/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	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50422635 (CHEMBL2311179) Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |c:4,10| Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154004 (11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:23,30| Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/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	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50154009 (Acetic acid 17-acetyl-6-chloro-10,13-dimethyl-3-ox...) Show SMILES CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14?,15-,16?,17?,18?,22+,23+,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154005 (17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:21,28| Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/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	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154007 (11-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:15,22| Show InChI InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h10,12,16-18,22H,3-9,11H2,1-2H3/t12-,16?,17?,18-,20-/m0/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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					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	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50154009 (Acetic acid 17-acetyl-6-chloro-10,13-dimethyl-3-ox...) Show SMILES CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14?,15-,16?,17?,18?,22+,23+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154005 (17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:21,28| Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/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	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					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	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154005 (17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:21,28| Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/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	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154006 (17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...) Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25| Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/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	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154004 (11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:23,30| Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/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	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154003 (11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...) Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/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	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154009 (Acetic acid 17-acetyl-6-chloro-10,13-dimethyl-3-ox...) Show SMILES CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14?,15-,16?,17?,18?,22+,23+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					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	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154007 (11-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:15,22| Show InChI InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h10,12,16-18,22H,3-9,11H2,1-2H3/t12-,16?,17?,18-,20-/m0/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	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154009 (Acetic acid 17-acetyl-6-chloro-10,13-dimethyl-3-ox...) Show SMILES CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14?,15-,16?,17?,18?,22+,23+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154004 (11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:23,30| Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/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	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50422635 (CHEMBL2311179) Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |c:4,10| Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50154006 (17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...) Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25| Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50422635 (CHEMBL2311179) Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |c:4,10| Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50154003 (11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...) Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50154005 (17-Hydroxy-13-methyl-11-octyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:21,28| Show InChI InChI=1S/C26H40O2/c1-3-4-5-6-7-8-9-19-17-26(2)23(14-15-24(26)28)22-12-10-18-16-20(27)11-13-21(18)25(19)22/h16,19,22-24,28H,3-15,17H2,1-2H3/t19-,22?,23?,24-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	979	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50154007 (11-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:15,22| Show InChI InChI=1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h10,12,16-18,22H,3-9,11H2,1-2H3/t12-,16?,17?,18-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50154004 (11-Decyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,1...) Show SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:23,30| Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17-26(28)30)24-14-12-20-18-22(29)13-15-23(20)27(21)24/h18,21,24-26,30H,3-17,19H2,1-2H3/t21-,24?,25?,26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair