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Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50055716
Substrate
n/a
Meas. Tech.
ChEMBL_452277 (CHEMBL901432)
IC50
350±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:
BDBM50055716
Synonyms:
4-hydroxy-3-(4-hydroxy-2-oxo-2H-3-chromenyl{4-[2-phenyl-(E)-1-ethenyl]phenyl}methyl)-2H-2-chromenone | CHEMBL238295 | CHEMBL284384
Type:
Small organic molecule
Emp. Form.:
C33H22O6
Mol. Mass.:
514.5242
SMILES:
Oc1c(C(c2ccc(\C=C\c3ccccc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Structure:
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