Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50215718'   

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))	BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair