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Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50055714
Substrate
n/a
Meas. Tech.
ChEMBL_452277 (CHEMBL901432)
IC50
5±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:
BDBM50055714
Synonyms:
3-(4,7-dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-dihydroxy-2H-2-chromenone | CHEMBL238291 | CHEMBL312727
Type:
Small organic molecule
Emp. Form.:
C19H12O8
Mol. Mass.:
368.2938
SMILES:
Oc1ccc2c(O)c(Cc3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Structure:
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