Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50459874'   

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))	BDBM50459874 (CHEMBL4226259) Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccc(cc1)C(O)=O)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H17N3O2/c1-14-20(12-24)21(18-7-3-16(11-23)4-8-18)15(2)25(14)13-17-5-9-19(10-6-17)22(26)27/h3-10H,13H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Binding affinity to androgen receptor (unknown origin)				J Med Chem 61: 543-575 (2018) Article DOI: 10.1021/acs.jmedchem.7b00168 BindingDB Entry DOI: 10.7270/Q2VT1VR7
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