Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50156505'   

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))	BDBM50156505 ((1S,6S,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-tria...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21 Show InChI InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-14,24H,8,10H2,1-3H3/t13-,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	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156505 ((1S,6S,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-tria...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21 Show InChI InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-14,24H,8,10H2,1-3H3/t13-,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	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156505 ((1S,6S,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-tria...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21 Show InChI InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-14,24H,8,10H2,1-3H3/t13-,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	Article PubMed	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156505 ((1S,6S,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-tria...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21 Show InChI InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-14,24H,8,10H2,1-3H3/t13-,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	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against mutant androgen receptor of LNCap cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156505 ((1S,6S,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-tria...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21 Show InChI InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-14,24H,8,10H2,1-3H3/t13-,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	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against mutant androgen receptor of LNCap cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156505 ((1S,6S,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-tria...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21 Show InChI InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-14,24H,8,10H2,1-3H3/t13-,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	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair