Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50428557'   

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))	BDBM50428557 (CHEMBL2337507) Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C17H15ClN2O/c18-16-10-15(7-6-13(16)11-19)20-9-8-17(21,12-20)14-4-2-1-3-5-14/h1-7,10,21H,8-9,12H2	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	370	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428557 (CHEMBL2337507) Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C17H15ClN2O/c18-16-10-15(7-6-13(16)11-19)20-9-8-17(21,12-20)14-4-2-1-3-5-14/h1-7,10,21H,8-9,12H2	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	380	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428557 (CHEMBL2337507) Show SMILES OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C17H15ClN2O/c18-16-10-15(7-6-13(16)11-19)20-9-8-17(21,12-20)14-4-2-1-3-5-14/h1-7,10,21H,8-9,12H2	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
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair