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Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50226828
Substrate
n/a
Meas. Tech.
ChEMBL_452277 (CHEMBL901432)
IC50
250±n/a nM
Citation
 Nolan, KA; Zhao, H; Faulder, PF; Frenkel, AD; Timson, DJ; Siegel, D; Ross, D; Burke, TR; Stratford, IJ; Bryce, RA Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity. J Med Chem 50:6316-25 (2007) [PubMed]  Article 
Target
Name:
NAD(P)H dehydrogenase [quinone] 1
Synonyms:
Azoreductase | DIA4 | DT-diaphorase | Menadione reductase | NAD(P)H:quinone oxidoreductase 1 | NMOR1 | NQO1 | NQO1_HUMAN | Phylloquinone reductase | QR1 | Quinone Reductase 1 | Quinone reductase 1)
Type:
Homodimer
Mol. Mass.:
30874.82
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
274
Sequence:
MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKLKDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERVFIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFCGFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMKKEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK
  
Inhibitor
Name:
BDBM50226828
Synonyms:
7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6a,7-dihydro-4aH-pyrano[3,2-c;5,6-c']dichromene-6,8-dione | CHEMBL391213
Type:
Small organic molecule
Emp. Form.:
C28H16O8
Mol. Mass.:
480.4218
SMILES:
Oc1c(C2C3C(=O)OC4C=CC=CC4=C3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12 |w:3.2,4.4,8.7,c:9,11,14|
Structure:
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