Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50156512'   

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))	BDBM50156512 (4-[(1S,6R,7S)-8-(4-Butyl-benzoyl)-3,5-dioxo-2,4,8-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21 Show InChI InChI=1S/C26H23F3N4O3/c1-2-3-4-15-5-7-16(8-6-15)23(34)31-14-19-12-21(31)22-24(35)33(25(36)32(19)22)18-10-9-17(13-30)20(11-18)26(27,28)29/h5-11,19,21,35H,2-4,12,14H2,1H3/t19-,21-/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	690	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))	BDBM50156512 (4-[(1S,6R,7S)-8-(4-Butyl-benzoyl)-3,5-dioxo-2,4,8-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21 Show InChI InChI=1S/C26H23F3N4O3/c1-2-3-4-15-5-7-16(8-6-15)23(34)31-14-19-12-21(31)22-24(35)33(25(36)32(19)22)18-10-9-17(13-30)20(11-18)26(27,28)29/h5-11,19,21,35H,2-4,12,14H2,1H3/t19-,21-/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	1.79E+4	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))	BDBM50156512 (4-[(1S,6R,7S)-8-(4-Butyl-benzoyl)-3,5-dioxo-2,4,8-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21 Show InChI InChI=1S/C26H23F3N4O3/c1-2-3-4-15-5-7-16(8-6-15)23(34)31-14-19-12-21(31)22-24(35)33(25(36)32(19)22)18-10-9-17(13-30)20(11-18)26(27,28)29/h5-11,19,21,35H,2-4,12,14H2,1H3/t19-,21-/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	3.37E+4	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