Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM506
Substrate
n/a
Meas. Tech.
ChEMBL_452277 (CHEMBL901432)
IC50
110±n/a nM
Citation
 Nolan, KAZhao, HFaulder, PFFrenkel, ADTimson, DJSiegel, DRoss, DBurke, TRStratford, IJBryce, 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:
BDBM506
Synonyms:
3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl}(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-4-hydroxy-2H-chromen-2-one | CHEMBL293914 | Cancer Chemotherapy National Service Center (CCNSC) compound 158393 | NSC 158393
Type:
Small organic molecule
Emp. Form.:
C44H26O12
Mol. Mass.:
746.67
SMILES:
Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Structure:
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