Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50373242'   

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))	BDBM50373242 (CHEMBL258384) Show SMILES COc1cccc2OC(CC=C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8| Show InChI InChI=1S/C21H19NO3/c1-4-6-16-21-13(20-15(24-3)7-5-8-17(20)25-16)9-10-14-19(21)12(2)11-18(23)22-14/h4-5,7-11,16H,1,6H2,2-3H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50373242 (CHEMBL258384) Show SMILES COc1cccc2OC(CC=C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8| Show InChI InChI=1S/C21H19NO3/c1-4-6-16-21-13(20-15(24-3)7-5-8-17(20)25-16)9-10-14-19(21)12(2)11-18(23)22-14/h4-5,7-11,16H,1,6H2,2-3H3,(H,22,23)	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	144	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50373242 (CHEMBL258384) Show SMILES COc1cccc2OC(CC=C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8| Show InChI InChI=1S/C21H19NO3/c1-4-6-16-21-13(20-15(24-3)7-5-8-17(20)25-16)9-10-14-19(21)12(2)11-18(23)22-14/h4-5,7-11,16H,1,6H2,2-3H3,(H,22,23)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay				Bioorg Med Chem Lett 18: 3431-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.085 BindingDB Entry DOI: 10.7270/Q25M66J9
					More data for this Ligand-Target Pair