Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50055708
Substrate
n/a
Meas. Tech.
ChEMBL_452278 (CHEMBL901433)
IC50
10000±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:
BDBM50055708
Synonyms:
4-hydroxy-3-[4-hydroxy-3-methoxyphenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-2H-2-chromenone | CHEMBL392101 | CHEMBL83968
Type:
Small organic molecule
Emp. Form.:
C26H18O8
Mol. Mass.:
458.4163
SMILES:
COc1cc(ccc1O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Structure:
Search PDB for entries with ligand similarity: