Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50007894   

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
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 PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor expressed COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50069069 ((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...) Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069071 ((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069065 ((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069083 ((5bR,9aR)-1,5b-Dimethyl-4-trifluoromethyl-1,5b,6,7...) Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@]4(C)c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-17-6-4-3-5-15(17)22-13-9-14-10(7-12(13)17)11(18(19,20)21)8-16(24)23(14)2/h7-9,15,22H,3-6H2,1-2H3/t15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069066 ((R)-2,8-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahy...) Show SMILES C[C@@H]1Cc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-7-3-8-4-9-10(14(15,16)17)5-13(20)19(2)12(9)6-11(8)18-7/h4-7,18H,3H2,1-2H3/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069072 ((R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-...) Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)11-5-9-10(16(17,18)19)6-14(22)21(4)13(9)7-12(11)20-8/h5-8,20H,1-4H3/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069068 ((R)-2-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O/c1-6-2-7-3-8-9(13(14,15)16)4-12(19)18-11(8)5-10(7)17-6/h3-6,17H,2H2,1H3,(H,18,19)/t6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069074 ((2R,3R)-2,3,8-Trimethyl-5-trifluoromethyl-1,2,3,8-...) Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2[C@H]1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-8(2)19-12-6-13-10(4-9(7)12)11(15(16,17)18)5-14(21)20(13)3/h4-8,19H,1-3H3/t7-,8+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069070 ((5bR,9aR)-1,10-Dimethyl-4-trifluoromethyl-1,5b,6,7...) Show SMILES CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-22-14-6-4-3-5-10(14)11-7-12-13(18(19,20)21)8-17(24)23(2)16(12)9-15(11)22/h7-10,14H,3-6H2,1-2H3/t10-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069079 ((S)-3-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O/c1-6-5-17-10-4-11-8(2-7(6)10)9(13(14,15)16)3-12(19)18-11/h2-4,6,17H,5H2,1H3,(H,18,19)/t6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069062 ((5bR,9aR)-5b-Methyl-4-trifluoromethyl-1,5b,6,7,8,9...) Show SMILES C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-16-5-3-2-4-14(16)21-13-8-12-9(6-11(13)16)10(17(18,19)20)7-15(23)22-12/h6-8,14,21H,2-5H2,1H3,(H,22,23)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069076 ((R)-2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetr...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-14(2,3)10-4-8-9(15(16,17)18)5-13(21)20-11(8)6-12(10)19-7/h4-7,19H,1-3H3,(H,20,21)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069075 ((5bR,7S,9aR)-7-Methyl-4-trifluoromethyl-1,5b,6,7,8...) Show SMILES C[C@H]1CC[C@H]2Nc3cc4[nH]c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-8-2-3-13-9(4-8)10-5-11-12(17(18,19)20)6-16(23)22-15(11)7-14(10)21-13/h5-9,13,21H,2-4H2,1H3,(H,22,23)/t8-,9+,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069080 (3,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES CC1(C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-13(2)6-18-11-5-10-7(3-9(11)13)8(14(15,16)17)4-12(20)19-10/h3-5,18H,6H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069077 ((R)-1,2,3,3,8-Pentamethyl-5-trifluoromethyl-1,2,3,...) Show SMILES C[C@H]1N(C)c2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3/t9-/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	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069082 (5-Trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCc3cc12 Show InChI InChI=1S/C12H9F3N2O/c13-12(14,15)8-4-11(18)17-10-5-9-6(1-2-16-9)3-7(8)10/h3-5,16H,1-2H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against hAR androgen receptor expressed in COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069081 ((5bR,9aS)-1,9,9,10-Tetramethyl-4-trifluoromethyl-1...) Show SMILES CN1[C@H]2[C@H](CCCC2(C)C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C20H23F3N2O/c1-19(2)7-5-6-11-12-8-13-14(20(21,22)23)9-17(26)24(3)16(13)10-15(12)25(4)18(11)19/h8-11,18H,5-7H2,1-4H3/t11-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069064 (8-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrr...) Show SMILES Cn1c2cc3NCCc3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O/c1-18-11-6-10-7(2-3-17-10)4-8(11)9(5-12(18)19)13(14,15)16/h4-6,17H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against hAR androgen receptor expressed in COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069060 ((5bR,9aR)-1-Methyl-10-propyl-4-trifluoromethyl-1,5...) Show SMILES CCCN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C20H23F3N2O/c1-3-8-25-16-7-5-4-6-12(16)13-9-14-15(20(21,22)23)10-19(26)24(2)17(14)11-18(13)25/h9-12,16H,3-8H2,1-2H3/t12-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069059 ((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...) Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069061 ((5bR,7S,9aR)-1,7,10-Trimethyl-4-trifluoromethyl-1,...) Show SMILES C[C@H]1CC[C@@H]2[C@H](C1)c1cc3c(cc(=O)n(C)c3cc1N2C)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-10-4-5-15-11(6-10)12-7-13-14(19(20,21)22)8-18(25)24(3)17(13)9-16(12)23(15)2/h7-11,15H,4-6H2,1-3H3/t10-,11+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069073 ((5bR,9aS)-9,9-Dimethyl-4-trifluoromethyl-1,5b,6,7,...) Show SMILES CC1(C)CCC[C@H]2[C@@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-17(2)5-3-4-9-10-6-11-12(18(19,20)21)7-15(24)22-14(11)8-13(10)23-16(9)17/h6-9,16,23H,3-5H2,1-2H3,(H,22,24)/t9-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50069067 ((5bR,7S,9aR)-1,7-Dimethyl-4-trifluoromethyl-1,5b,6...) Show SMILES C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-9-3-4-14-10(5-9)11-6-12-13(18(19,20)21)7-17(24)23(2)16(12)8-15(11)22-14/h6-10,14,22H,3-5H2,1-2H3/t9-,10+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069085 ((5bR,9aR)-1,5b,10-Trimethyl-4-trifluoromethyl-1,5b...) Show SMILES CN1[C@@H]2CCCC[C@]2(C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-18-7-5-4-6-16(18)23(2)15-10-14-11(8-13(15)18)12(19(20,21)22)9-17(25)24(14)3/h8-10,16H,4-7H2,1-3H3/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069078 (1,8-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES CN1CCc2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-18-4-3-8-5-9-10(14(15,16)17)6-13(20)19(2)12(9)7-11(8)18/h5-7H,3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069084 ((5bR,9aR)-1-Ethyl-4-trifluoromethyl-1,5b,6,7,8,9,9...) Show SMILES CCn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-2-23-16-9-15-11(10-5-3-4-6-14(10)22-15)7-12(16)13(8-17(23)24)18(19,20)21/h7-10,14,22H,2-6H2,1H3/t10-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069068 ((R)-2-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O/c1-6-2-7-3-8-9(13(14,15)16)4-12(19)18-11(8)5-10(7)17-6/h3-6,17H,2H2,1H3,(H,18,19)/t6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069080 (3,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES CC1(C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-13(2)6-18-11-5-10-7(3-9(11)13)8(14(15,16)17)4-12(20)19-10/h3-5,18H,6H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069072 ((R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-...) Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)11-5-9-10(16(17,18)19)6-14(22)21(4)13(9)7-12(11)20-8/h5-8,20H,1-4H3/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069082 (5-Trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCc3cc12 Show InChI InChI=1S/C12H9F3N2O/c13-12(14,15)8-4-11(18)17-10-5-9-6(1-2-16-9)3-7(8)10/h3-5,16H,1-2H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069073 ((5bR,9aS)-9,9-Dimethyl-4-trifluoromethyl-1,5b,6,7,...) Show SMILES CC1(C)CCC[C@H]2[C@@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-17(2)5-3-4-9-10-6-11-12(18(19,20)21)7-15(24)22-14(11)8-13(10)23-16(9)17/h6-9,16,23H,3-5H2,1-2H3,(H,22,24)/t9-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069081 ((5bR,9aS)-1,9,9,10-Tetramethyl-4-trifluoromethyl-1...) Show SMILES CN1[C@H]2[C@H](CCCC2(C)C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C20H23F3N2O/c1-19(2)7-5-6-11-12-8-13-14(20(21,22)23)9-17(26)24(3)16(13)10-15(12)25(4)18(11)19/h8-11,18H,5-7H2,1-4H3/t11-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069060 ((5bR,9aR)-1-Methyl-10-propyl-4-trifluoromethyl-1,5...) Show SMILES CCCN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C20H23F3N2O/c1-3-8-25-16-7-5-4-6-12(16)13-9-14-15(20(21,22)23)10-19(26)24(2)17(14)11-18(13)25/h9-12,16H,3-8H2,1-2H3/t12-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069070 ((5bR,9aR)-1,10-Dimethyl-4-trifluoromethyl-1,5b,6,7...) Show SMILES CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-22-14-6-4-3-5-10(14)11-7-12-13(18(19,20)21)8-17(24)23(2)16(12)9-15(11)22/h7-10,14H,3-6H2,1-2H3/t10-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069067 ((5bR,7S,9aR)-1,7-Dimethyl-4-trifluoromethyl-1,5b,6...) Show SMILES C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-9-3-4-14-10(5-9)11-6-12-13(18(19,20)21)7-17(24)23(2)16(12)8-15(11)22-14/h6-10,14,22H,3-5H2,1-2H3/t9-,10+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069076 ((R)-2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetr...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-14(2,3)10-4-8-9(15(16,17)18)5-13(21)20-11(8)6-12(10)19-7/h4-7,19H,1-3H3,(H,20,21)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069059 ((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...) Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069085 ((5bR,9aR)-1,5b,10-Trimethyl-4-trifluoromethyl-1,5b...) Show SMILES CN1[C@@H]2CCCC[C@]2(C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-18-7-5-4-6-16(18)23(2)15-10-14-11(8-13(15)18)12(19(20,21)22)9-17(25)24(14)3/h8-10,16H,4-7H2,1-3H3/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069061 ((5bR,7S,9aR)-1,7,10-Trimethyl-4-trifluoromethyl-1,...) Show SMILES C[C@H]1CC[C@@H]2[C@H](C1)c1cc3c(cc(=O)n(C)c3cc1N2C)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-10-4-5-15-11(6-10)12-7-13-14(19(20,21)22)8-18(25)24(3)17(13)9-16(12)23(15)2/h7-11,15H,4-6H2,1-3H3/t10-,11+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069064 (8-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrr...) Show SMILES Cn1c2cc3NCCc3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O/c1-18-11-6-10-7(2-3-17-10)4-8(11)9(5-12(18)19)13(14,15)16/h4-6,17H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069077 ((R)-1,2,3,3,8-Pentamethyl-5-trifluoromethyl-1,2,3,...) Show SMILES C[C@H]1N(C)c2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3/t9-/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	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50069069 ((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...) Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity against hPR in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50069071 ((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity against hPR in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069078 (1,8-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...) Show SMILES CN1CCc2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-18-4-3-8-5-9-10(14(15,16)17)6-13(20)19(2)12(9)7-11(8)18/h5-7H,3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069084 ((5bR,9aR)-1-Ethyl-4-trifluoromethyl-1,5b,6,7,8,9,9...) Show SMILES CCn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-2-23-16-9-15-11(10-5-3-4-6-14(10)22-15)7-12(16)13(8-17(23)24)18(19,20)21/h7-10,14,22H,2-6H2,1H3/t10-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor expressed in CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50069067 ((5bR,7S,9aR)-1,7-Dimethyl-4-trifluoromethyl-1,5b,6...) Show SMILES C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-9-3-4-14-10(5-9)11-6-12-13(18(19,20)21)7-17(24)23(2)16(12)8-15(11)22-14/h6-10,14,22H,3-5H2,1-2H3/t9-,10+,14+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity against hPR in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50069059 ((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...) Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonistic activity against hPR in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair

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