Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50091401'   

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 (Rattus norvegicus (Rat))	BDBM50091401 (4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSC-Scientific Computing Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate				J Med Chem 48: 917-25 (2005) Article DOI: 10.1021/jm0495879 BindingDB Entry DOI: 10.7270/Q2SJ1PBD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50091401 (4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50091401 (4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...) Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1 Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair