Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NADPH oxidase 4' and Ligand = 'BDBM50330702'   

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
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50330702 (1-acetyl-4-methyl-5-(pyridin-3-ylmethyl)-2-o-tolyl...) Show SMILES CC(=O)n1n(-c2ccccc2C)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12 |(31.69,-42.59,;30.93,-41.25,;29.39,-41.24,;31.71,-39.93,;30.81,-38.68,;29.27,-38.68,;28.51,-40.01,;26.97,-40.01,;26.19,-38.67,;26.97,-37.34,;28.51,-37.34,;29.28,-36.01,;31.72,-37.43,;31.24,-35.97,;33.18,-37.91,;34.51,-37.14,;34.5,-35.6,;35.85,-37.9,;37.18,-37.12,;38.52,-37.89,;38.52,-39.43,;39.85,-40.19,;41.18,-39.42,;41.17,-37.87,;39.84,-37.11,;35.85,-39.45,;37.19,-40.22,;34.51,-40.22,;33.18,-39.45,)| Show InChI InChI=1S/C22H20N4O3/c1-14-7-4-5-9-18(14)26-22(29)21-15(2)24(13-17-8-6-10-23-12-17)20(28)11-19(21)25(26)16(3)27/h4-12H,13H2,1-3H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genkyotex, S.A. Curated by ChEMBL					Assay Description Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH				J Med Chem 53: 7715-30 (2010) Article DOI: 10.1021/jm100773e BindingDB Entry DOI: 10.7270/Q2KH0NKJ
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