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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NADPH oxidase 4' and Ligand = 'BDBM50330746'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
NADPH oxidase 4


(Homo sapiens (Human))		BDBM50330746
PNG
(2-(2-chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1H-...)
Show SMILES Cn1c(-c2ccccc2F)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O |(55.19,-34.39,;53.86,-35.16,;52.52,-34.4,;52.52,-32.86,;51.18,-32.11,;51.17,-30.57,;52.5,-29.78,;53.84,-30.55,;53.85,-32.09,;55.18,-32.86,;51.19,-35.17,;51.19,-36.71,;52.53,-37.49,;53.87,-36.71,;55.2,-37.48,;49.73,-37.19,;48.82,-35.94,;47.28,-35.94,;46.52,-37.27,;44.98,-37.28,;44.21,-35.94,;44.98,-34.6,;46.52,-34.6,;47.3,-33.27,;49.73,-34.7,;49.26,-33.23,)|
Show InChI InChI=1S/C19H13ClFN3O2/c1-23-16(25)10-14-17(18(23)11-6-2-4-8-13(11)21)19(26)24(22-14)15-9-5-3-7-12(15)20/h2-10,22H,1H3
KEGG

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PC cid
PC sid
UniChem

Patents
Article
PubMed
 128n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair