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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 = 'BDBM50330703'   
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))		BDBM50330703
PNG
(1-acetyl-2-(2-chlorophenyl)-4-methyl-5-(pyridin-3-...)
Show SMILES CC(=O)n1n(-c2ccccc2Cl)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12 |(50.73,-44.13,;49.97,-42.79,;48.42,-42.78,;50.74,-41.46,;49.84,-40.21,;48.3,-40.21,;47.54,-41.54,;46,-41.55,;45.22,-40.21,;46,-38.87,;47.54,-38.88,;48.31,-37.54,;50.75,-38.97,;50.27,-37.5,;52.21,-39.45,;53.54,-38.67,;53.53,-37.13,;54.88,-39.43,;56.21,-38.66,;57.55,-39.42,;57.55,-40.96,;58.88,-41.73,;60.22,-40.95,;60.21,-39.4,;58.87,-38.64,;54.88,-40.99,;56.22,-41.75,;53.55,-41.76,;52.21,-40.99,)|
Show InChI InChI=1S/C21H17ClN4O3/c1-13-20-18(10-19(28)24(13)12-15-6-5-9-23-11-15)25(14(2)27)26(21(20)29)17-8-4-3-7-16(17)22/h3-11H,12H2,1-2H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 240n/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