Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50401596'   

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))	BDBM50401596 (CHEMBL2203836) Show SMILES CCS(=O)(=O)Nc1cc(F)c(-c2ccc(C#N)n2C)c(F)c1 |(36.99,-28.77,;35.66,-29.54,;34.32,-28.76,;33.54,-27.42,;35.08,-27.42,;32.99,-29.54,;31.65,-28.77,;31.65,-27.22,;30.31,-26.46,;30.31,-24.92,;28.99,-27.23,;27.66,-26.46,;27.69,-24.92,;26.24,-24.41,;25.31,-25.64,;23.77,-25.61,;22.23,-25.57,;26.19,-26.91,;25.68,-28.36,;28.98,-28.77,;27.65,-29.54,;30.32,-29.54,)| Show InChI InChI=1S/C14H13F2N3O2S/c1-3-22(20,21)18-9-6-11(15)14(12(16)7-9)13-5-4-10(8-17)19(13)2/h4-7,18H,3H2,1-2H3	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor by cellular reporter gene assay				Bioorg Med Chem Lett 22: 7119-22 (2012) Article DOI: 10.1016/j.bmcl.2012.09.077 BindingDB Entry DOI: 10.7270/Q2S183NW
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