Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 2247   

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 Article PubMed	0.200	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18561 (6-alkyl, 7-amino-2-quinolinone, 11c | 7-amino-6-pr...) Show SMILES CCCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F Show InChI InChI=1S/C13H13F3N2O/c1-2-3-7-4-8-9(13(14,15)16)5-12(19)18-11(8)6-10(7)17/h4-6H,2-3,17H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	19	n/a	83	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18538 (8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...) Show SMILES CCC1CCc2cc3c(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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-47.3	14	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18562 (6-alkyl, 7-amino-2-quinolinone, 11d (+/-) | 7-amin...) Show SMILES CCC(C)c1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F Show InChI InChI=1S/C14H15F3N2O/c1-3-7(2)8-4-9-10(14(15,16)17)5-13(20)19-12(9)6-11(8)18/h4-7H,3,18H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	14	n/a	65	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18552 (7-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl...) Show SMILES FC(F)(F)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C12H8F6N2O/c13-11(14,15)5-19-6-1-2-7-8(12(16,17)18)4-10(21)20-9(7)3-6/h1-4,19H,5H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-46.5	21	n/a	905	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18571 (6-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl...) Show SMILES FC(F)(F)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C12H8F6N2O/c13-11(14,15)5-19-6-1-2-9-7(3-6)8(12(16,17)18)4-10(21)20-9/h1-4,19H,5H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	18	n/a	108	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18560 (6-alkyl, 7-amino-2-quinolinone, 11b | 7-amino-6-et...) Show SMILES CCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F Show InChI InChI=1S/C12H11F3N2O/c1-2-6-3-7-8(12(13,14)15)4-11(18)17-10(7)5-9(6)16/h3-5H,2,16H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	23	n/a	593	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18542 (7-(ethylamino)-4-(trifluoromethyl)-1,2-dihydroquin...) Show SMILES CCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C12H11F3N2O/c1-2-16-7-3-4-8-9(12(13,14)15)6-11(18)17-10(8)5-7/h3-6,16H,2H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-44.8	35	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18557 (7-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluorom...) Show SMILES CCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C14H12F6N2O/c1-2-22(7-13(15,16)17)8-3-4-9-10(14(18,19)20)6-12(23)21-11(9)5-8/h3-6H,2,7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-44.7	42	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18559 (6-alkyl, 7-amino-2-quinolinone, 11a | 7-amino-6-me...) Show SMILES Cc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F Show InChI InChI=1S/C11H9F3N2O/c1-5-2-6-7(11(12,13)14)3-10(17)16-9(6)4-8(5)15/h2-4H,15H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18553 (7-[(2,2,3,3,3-pentafluoropropyl)amino]-4-(trifluor...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc(NCC(F)(F)C(F)(F)F)ccc12 Show InChI InChI=1S/C13H8F8N2O/c14-11(15,13(19,20)21)5-22-6-1-2-7-8(12(16,17)18)4-10(24)23-9(7)3-6/h1-4,22H,5H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	-44.2	58	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18539 (7-(propylamino)-4-(trifluoromethyl)-1,2-dihydroqui...) Show SMILES CCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C13H13F3N2O/c1-2-5-17-8-3-4-9-10(13(14,15)16)7-12(19)18-11(9)6-8/h3-4,6-7,17H,2,5H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	-44.1	32	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18543 (7-(butylamino)-4-(trifluoromethyl)-1,2-dihydroquin...) Show SMILES CCCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C14H15F3N2O/c1-2-3-6-18-9-4-5-10-11(14(15,16)17)8-13(20)19-12(10)7-9/h4-5,7-8,18H,2-3,6H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-43.3	67	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18575 (6-[(2,2-dimethylpropyl)amino]-4-(trifluoromethyl)-...) Show SMILES CC(C)(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C15H17F3N2O/c1-14(2,3)8-19-9-4-5-12-10(6-9)11(15(16,17)18)7-13(21)20-12/h4-7,19H,8H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18574 (6-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-...) Show SMILES CC(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H15F3N2O/c1-8(2)7-18-9-3-4-12-10(5-9)11(14(15,16)17)6-13(20)19-12/h3-6,8,18H,7H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	n/a	22	n/a	404	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18545 (7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-...) Show SMILES CC(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C14H15F3N2O/c1-8(2)7-18-9-3-4-10-11(14(15,16)17)6-13(20)19-12(10)5-9/h3-6,8,18H,7H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	-42.7	74	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18537 (8,8-dimethyl-4-(trifluoromethyl)-1H,2H,8H,9H-pyrid...) Show SMILES CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F |c:17| Show InChI InChI=1S/C15H13F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h3-7,20H,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 Patents Similars	Article PubMed	73	-42.4	27	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18573 (6-(cyclopentylamino)-4-(trifluoromethyl)-1,2-dihyd...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc(NC3CCCC3)cc12 Show InChI InChI=1S/C15H15F3N2O/c16-15(17,18)12-8-14(21)20-13-6-5-10(7-11(12)13)19-9-3-1-2-4-9/h5-9,19H,1-4H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	74	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18572 (6-[(2,2,3,3,3-pentafluoropropyl)amino]-4-(trifluor...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2ccc(NCC(F)(F)C(F)(F)F)cc12 Show InChI InChI=1S/C13H8F8N2O/c14-11(15,13(19,20)21)5-22-6-1-2-9-7(3-6)8(12(16,17)18)4-10(24)23-9/h1-4,22H,5H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	17	n/a	246	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18544 (7-(propan-2-ylamino)-4-(trifluoromethyl)-1,2-dihyd...) Show SMILES CC(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C13H13F3N2O/c1-7(2)17-8-3-4-9-10(13(14,15)16)6-12(19)18-11(9)5-8/h3-7,17H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	-42.2	56	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18541 (7-(methylamino)-4-(trifluoromethyl)-1,2-dihydroqui...) Show SMILES CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C11H9F3N2O/c1-15-6-2-3-7-8(11(12,13)14)5-10(17)16-9(7)4-6/h2-5,15H,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	83	-42.0	30	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18547 (7-[(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)-...) Show SMILES CCC(C)(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C15H17F3N2O/c1-4-14(2,3)20-9-5-6-10-11(15(16,17)18)8-13(21)19-12(10)7-9/h5-8,20H,4H2,1-3H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	110	-41.3	209	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18548 (7-[(2-methylbut-3-en-2-yl)amino]-4-(trifluoromethy...) Show SMILES CC(C)(Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F)C=C Show InChI InChI=1S/C15H15F3N2O/c1-4-14(2,3)20-9-5-6-10-11(15(16,17)18)8-13(21)19-12(10)7-9/h4-8,20H,1H2,2-3H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	118	-41.1	122	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18546 (7-[(2,2-dimethylpropyl)amino]-4-(trifluoromethyl)-...) Show SMILES CC(C)(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C15H17F3N2O/c1-14(2,3)8-19-9-4-5-10-11(15(16,17)18)7-13(21)20-12(10)6-9/h4-7,19H,8H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	134	-40.8	98	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					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 Article PubMed	151	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18566 (6-alkyl, 7-alkylamino-2-quinolinone, 11h | 6-ethyl...) Show SMILES CCc1cc2c(cc(=O)[nH]c2cc1NCC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C14H12F6N2O/c1-2-7-3-8-9(14(18,19)20)4-12(23)22-11(8)5-10(7)21-6-13(15,16)17/h3-5,21H,2,6H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	157	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18549 (7-(cyclobutylamino)-4-(trifluoromethyl)-1,2-dihydr...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCC3)ccc12 Show InChI InChI=1S/C14H13F3N2O/c15-14(16,17)11-7-13(20)19-12-6-9(4-5-10(11)12)18-8-2-1-3-8/h4-8,18H,1-3H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	161	-40.3	43	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18554 (7-(benzylamino)-4-(trifluoromethyl)-1,2-dihydroqui...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc(NCc3ccccc3)ccc12 Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)14-9-16(23)22-15-8-12(6-7-13(14)15)21-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	163	-40.3	294	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18558 (7-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoro...) Show SMILES CCCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C15H14F6N2O/c1-2-5-23(8-14(16,17)18)9-3-4-10-11(15(19,20)21)7-13(24)22-12(10)6-9/h3-4,6-7H,2,5,8H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	241	n/a	549	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18540 (7-amino-4-(trifluoromethyl)-1,2-dihydroquinolin-2-...) Show SMILES Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-3-5(14)1-2-6(7)8/h1-4H,14H2,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	407	-37.9	28	n/a	1.30E+3	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18556 (7-(diethylamino)-4-(trifluoromethyl)-1,2-dihydroqu...) Show SMILES CCN(CC)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C14H15F3N2O/c1-3-19(4-2)9-5-6-10-11(14(15,16)17)8-13(20)18-12(10)7-9/h5-8H,3-4H2,1-2H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	463	-37.6	591	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18563 (6-alkyl, 7-alkylamino-2-quinolinone, 11e | 6-methy...) Show SMILES CCCNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F Show InChI InChI=1S/C14H15F3N2O/c1-3-4-18-11-7-12-9(5-8(11)2)10(14(15,16)17)6-13(20)19-12/h5-7,18H,3-4H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	641	n/a	674	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18564 (6-alkyl, 7-alkylamino-2-quinolinone, 11f | 6-methy...) Show SMILES CC(C)CNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F Show InChI InChI=1S/C15H17F3N2O/c1-8(2)7-19-12-6-13-10(4-9(12)3)11(15(16,17)18)5-14(21)20-13/h4-6,8,19H,7H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	650	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18555 (7-(dimethylamino)-4-(trifluoromethyl)-1,2-dihydroq...) Show SMILES CN(C)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C12H11F3N2O/c1-17(2)7-3-4-8-9(12(13,14)15)6-11(18)16-10(8)5-7/h3-6H,1-2H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	761	-36.3	1.16E+3	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18565 (6-alkyl, 7-alkylamino-2-quinolinone, 11g | 6-ethyl...) Show SMILES CCc1cc2c(cc(=O)[nH]c2cc1NC)C(F)(F)F Show InChI InChI=1S/C13H13F3N2O/c1-3-7-4-8-9(13(14,15)16)5-12(19)18-11(8)6-10(7)17-2/h4-6,17H,3H2,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	869	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18550 (7-(cyclopentylamino)-4-(trifluoromethyl)-1,2-dihyd...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCC3)ccc12 Show InChI InChI=1S/C15H15F3N2O/c16-15(17,18)12-8-14(21)20-13-7-10(5-6-11(12)13)19-9-3-1-2-4-9/h5-9,19H,1-4H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-35.6	149	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18551 (7-(cyclohexylamino)-4-(trifluoromethyl)-1,2-dihydr...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCCC3)ccc12 Show InChI InChI=1S/C16H17F3N2O/c17-16(18,19)13-9-15(22)21-14-8-11(6-7-12(13)14)20-10-4-2-1-3-5-10/h6-10,20H,1-5H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-35.6	507	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18567 (7-[(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl...) Show SMILES FC(F)(F)CNc1ccc2c(cc(=O)oc2c1)C(F)(F)F Show InChI InChI=1S/C12H7F6NO2/c13-11(14,15)5-19-6-1-2-7-8(12(16,17)18)4-10(20)21-9(7)3-6/h1-4,19H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18568 (7-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2c(cc(=O)oc2c1)C(F)(F)F Show InChI InChI=1S/C14H8F9NO2/c15-12(16,17)5-24(6-13(18,19)20)7-1-2-8-9(14(21,22)23)4-11(25)26-10(8)3-7/h1-4H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	73	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18570 (6-(ethylamino)-4-(trifluoromethyl)-1,2-dihydroquin...) Show SMILES CCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C12H11F3N2O/c1-2-16-7-3-4-10-8(5-7)9(12(13,14)15)6-11(18)17-10/h3-6,16H,2H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair