Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50008738   

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, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50076700 ((6S,8R)-6,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES C[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-3-8(2)19-12-6-13-10(4-9(7)12)11(15(16,17)18)5-14(21)20-13/h4-8,19H,3H2,1-2H3,(H,20,21)/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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076717 ((R)-8-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES C[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-7-2-3-8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18-7/h4-7,18H,2-3H2,1H3,(H,19,20)/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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076707 ((R)-8-Ethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...) Show SMILES CC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(21)20-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3,(H,20,21)/t9-/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	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076708 ((6S,8R)-6,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES CC[C@@H]1C[C@H](CC)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10(4-2)21-14-8-15-12(6-11(9)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)/t9-,10+/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	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076713 ((7S,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076703 ((7R,8R)-8-Ethyl-7-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(22)21-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3,(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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076711 ((7S,8R)-8-Ethyl-7-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(22)21-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3,(H,21,22)/t8-,12+/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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076706 ((7R,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9-/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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076701 ((7R,8R)-7,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-3-9-4-10-11(15(16,17)18)5-14(21)20-13(10)6-12(9)19-8(7)2/h4-8,19H,3H2,1-2H3,(H,20,21)/t7-,8-/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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076720 ((7S,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10-6-11-12(17(18,19)20)7-16(23)22-15(11)8-14(10)21-13(9)4-2/h6-9,13,21H,3-5H2,1-2H3,(H,22,23)/t9-,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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076710 ((6S,8R)-8-Ethyl-6-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-9/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076716 ((7S,8R)-7,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES C[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-3-9-4-10-11(15(16,17)18)5-14(21)20-13(10)6-12(9)19-8(7)2/h4-8,19H,3H2,1-2H3,(H,20,21)/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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076704 ((6S,8R)-6-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076702 ((R)-8-Propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CCC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-2-3-10-5-4-9-6-11-12(16(17,18)19)7-15(22)21-14(11)8-13(9)20-10/h6-8,10,20H,2-5H2,1H3,(H,21,22)/t10-/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	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h5-7,20H,3-4H2,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403732 (CHEMBL2112349) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1O)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O5/c1-10(2,19)9(18)15-5-3-4-6(16(20)21)7(8(5)17)11(12,13)14/h3-4,17,19H,1-2H3,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076705 ((7R,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10-6-11-12(17(18,19)20)7-16(23)22-15(11)8-14(10)21-13(9)4-2/h6-9,13,21H,3-5H2,1-2H3,(H,22,23)/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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076712 ((7S,8R)-8-Ethyl-7-propyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CCC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-3-5-10-6-11-7-12-13(18(19,20)21)8-17(24)23-16(12)9-15(11)22-14(10)4-2/h7-10,14,22H,3-6H2,1-2H3,(H,23,24)/t10-,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	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076718 ((R)-7,7,8-Triethyl-4-trifluoromethyl-6,7,8,9-tetra...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F Show InChI InChI=1S/C19H23F3N2O/c1-4-16-18(5-2,6-3)10-11-7-12-13(19(20,21)22)8-17(25)24-15(12)9-14(11)23-16/h7-9,16,23H,4-6,10H2,1-3H3,(H,24,25)/t16-/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	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076715 ((R)-8-Ethyl-7,7-dimethyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-4-14-16(2,3)8-9-5-10-11(17(18,19)20)6-15(23)22-13(10)7-12(9)21-14/h5-7,14,21H,4,8H2,1-3H3,(H,22,23)/t14-/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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076709 ((R)-7,7,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)7-9-4-10-11(16(17,18)19)5-14(22)21-13(10)6-12(9)20-8/h4-6,8,20H,7H2,1-3H3,(H,21,22)/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	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076714 ((S)-8-Isopropyl-4-trifluoromethyl-6,7,8,9-tetrahyd...) Show SMILES CC(C)[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8(2)12-4-3-9-5-10-11(16(17,18)19)6-15(22)21-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3,(H,21,22)/t12-/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	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076711 ((7S,8R)-8-Ethyl-7-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(22)21-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3,(H,21,22)/t8-,12+/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076707 ((R)-8-Ethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...) Show SMILES CC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(21)20-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3,(H,20,21)/t9-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076700 ((6S,8R)-6,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES C[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-3-8(2)19-12-6-13-10(4-9(7)12)11(15(16,17)18)5-14(21)20-13/h4-8,19H,3H2,1-2H3,(H,20,21)/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	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076703 ((7R,8R)-8-Ethyl-7-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(22)21-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3,(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	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403732 (CHEMBL2112349) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1O)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O5/c1-10(2,19)9(18)15-5-3-4-6(16(20)21)7(8(5)17)11(12,13)14/h3-4,17,19H,1-2H3,(H,15,18)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076717 ((R)-8-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES C[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-7-2-3-8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18-7/h4-7,18H,2-3H2,1H3,(H,19,20)/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076709 ((R)-7,7,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)7-9-4-10-11(16(17,18)19)5-14(22)21-13(10)6-12(9)20-8/h4-6,8,20H,7H2,1-3H3,(H,21,22)/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076714 ((S)-8-Isopropyl-4-trifluoromethyl-6,7,8,9-tetrahyd...) Show SMILES CC(C)[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8(2)12-4-3-9-5-10-11(16(17,18)19)6-15(22)21-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3,(H,21,22)/t12-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h5-7,20H,3-4H2,1-2H3,(H,19,21)	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, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076702 ((R)-8-Propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CCC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-2-3-10-5-4-9-6-11-12(16(17,18)19)7-15(22)21-14(11)8-13(9)20-10/h6-8,10,20H,2-5H2,1H3,(H,21,22)/t10-/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	32	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076716 ((7S,8R)-7,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES C[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-3-9-4-10-11(15(16,17)18)5-14(21)20-13(10)6-12(9)19-8(7)2/h4-8,19H,3H2,1-2H3,(H,20,21)/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	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076715 ((R)-8-Ethyl-7,7-dimethyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-4-14-16(2,3)8-9-5-10-11(17(18,19)20)6-15(23)22-13(10)7-12(9)21-14/h5-7,14,21H,4,8H2,1-3H3,(H,22,23)/t14-/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	42	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076718 ((R)-7,7,8-Triethyl-4-trifluoromethyl-6,7,8,9-tetra...) Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F Show InChI InChI=1S/C19H23F3N2O/c1-4-16-18(5-2,6-3)10-11-7-12-13(19(20,21)22)8-17(25)24-15(12)9-14(11)23-16/h7-9,16,23H,4-6,10H2,1-3H3,(H,24,25)/t16-/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, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076701 ((7R,8R)-7,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-3-9-4-10-11(15(16,17)18)5-14(21)20-13(10)6-12(9)19-8(7)2/h4-8,19H,3H2,1-2H3,(H,20,21)/t7-,8-/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	74	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076710 ((6S,8R)-8-Ethyl-6-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-9/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	137	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076713 ((7S,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076720 ((7S,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10-6-11-12(17(18,19)20)7-16(23)22-15(11)8-14(10)21-13(9)4-2/h6-9,13,21H,3-5H2,1-2H3,(H,22,23)/t9-,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	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					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 PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50076706 ((7R,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9-/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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076705 ((7R,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10-6-11-12(17(18,19)20)7-16(23)22-15(11)8-14(10)21-13(9)4-2/h6-9,13,21H,3-5H2,1-2H3,(H,22,23)/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	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076712 ((7S,8R)-8-Ethyl-7-propyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CCC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-3-5-10-6-11-7-12-13(18(19,20)21)8-17(24)23-16(12)9-15(11)22-14(10)4-2/h7-10,14,22H,3-6H2,1-2H3,(H,23,24)/t10-,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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076704 ((6S,8R)-6-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076708 ((6S,8R)-6,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetr...) Show SMILES CC[C@@H]1C[C@H](CC)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10(4-2)21-14-8-15-12(6-11(9)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)/t9-,10+/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	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cells; no data				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076712 ((7S,8R)-8-Ethyl-7-propyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CCC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-3-5-10-6-11-7-12-13(18(19,20)21)8-17(24)23-16(12)9-15(11)22-14(10)4-2/h7-10,14,22H,3-6H2,1-2H3,(H,23,24)/t10-,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	n/a	n/a	16	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076717 ((R)-8-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES C[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-7-2-3-8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18-7/h4-7,18H,2-3H2,1H3,(H,19,20)/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	n/a	n/a	21	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076713 ((7S,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/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	n/a	n/a	9	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076706 ((7R,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...) Show SMILES CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-10-5-11-12(16(17,18)19)6-15(22)21-14(11)7-13(10)20-8(9)2/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9-/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	n/a	n/a	10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines				Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 69 total )  |  Next  |  Last  >>

Jump to: