Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50459875'   

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))	BDBM50459875 (CHEMBL4226844) Show SMILES Cc1nn(c(C)c1CCc1ccc(cc1)C(O)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C21H18ClN3O2/c1-13-19(10-5-15-3-6-16(7-4-15)21(26)27)14(2)25(24-13)18-9-8-17(12-23)20(22)11-18/h3-4,6-9,11H,5,10H2,1-2H3,(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	53	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
					More data for this Ligand-Target Pair