Reaction Details Report a problem with these data
Target
NAD(P)H dehydrogenase [quinone] 1
Ligand
BDBM50236854
Substrate
n/a
Meas. Tech.
ChEMBL_1659527 (CHEMBL4009139)
IC50
2900±n/a nM
Citation
 Bian, J; Li, X; Wang, N; Wu, X; You, Q; Zhang, X Discovery of quinone-directed antitumor agents selectively bioactivated by NQO1 over CPR with improved safety profile. Eur J Med Chem 129:27-40 (2017) [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:
BDBM50236854
Synonyms:
CHEMBL4074173
Type:
Small organic molecule
Emp. Form.:
C15H12O3
Mol. Mass.:
240.254
SMILES:
Cc1coc-2c1C(=O)C(=O)c1c(C)ccc(C)c-21
Structure:
Search PDB for entries with ligand similarity: