Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50195848
Substrate
n/a
Meas. Tech.
ChEMBL_425055 (CHEMBL911952)
IC50
95000±n/a nM
Citation
 Nolan, KA; Timson, DJ; Stratford, IJ; Bryce, RA In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett 16:6246-54 (2006) [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:
BDBM50195848
Synonyms:
CHEMBL541922 | NSC-684664
Type:
Small organic molecule
Emp. Form.:
C23H31N4O5
Mol. Mass.:
443.5155
SMILES:
CN(CC[NH+](C)C)c1ccc(NCC[N+](C)(C)[O-])c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Structure:
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