Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50373240'   

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))	BDBM50373240 (CHEMBL427898) Show SMILES COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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))	BDBM50373240 (CHEMBL427898) Show SMILES COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Activity at androgen receptor in human Saos2 cells assessed as IL6 repression				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))	BDBM50373240 (CHEMBL427898) Show SMILES COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)	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	>1.00E+4	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))	BDBM50373240 (CHEMBL427898) Show SMILES COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12 Show InChI InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)	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	21	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