Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50156507'   

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))	BDBM50156507 ((1R,6S,7R)-4-(4-Nitro-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)[N+]([O-])=O)c(=O)n21 Show InChI InChI=1S/C18H20N4O6/c1-18(2,3)28-17(25)19-9-12-8-13(19)14-15(23)21(16(24)20(12)14)10-4-6-11(7-5-10)22(26)27/h4-7,12-13,23H,8-9H2,1-3H3/t12-,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	Article PubMed	230	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))	BDBM50156507 ((1R,6S,7R)-4-(4-Nitro-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)[N+]([O-])=O)c(=O)n21 Show InChI InChI=1S/C18H20N4O6/c1-18(2,3)28-17(25)19-9-12-8-13(19)14-15(23)21(16(24)20(12)14)10-4-6-11(7-5-10)22(26)27/h4-7,12-13,23H,8-9H2,1-3H3/t12-,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	Article PubMed	n/a	n/a	250	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))	BDBM50156507 ((1R,6S,7R)-4-(4-Nitro-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)[N+]([O-])=O)c(=O)n21 Show InChI InChI=1S/C18H20N4O6/c1-18(2,3)28-17(25)19-9-12-8-13(19)14-15(23)21(16(24)20(12)14)10-4-6-11(7-5-10)22(26)27/h4-7,12-13,23H,8-9H2,1-3H3/t12-,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	Article PubMed	n/a	n/a	2.39E+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