Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM174913
Substrate
US9096593, 7-Benzyloxyquinoline (BQ)
Meas. Tech.
Inhibition Enzyme Assay
IC50
5000±n/a nM
Citation
 Zhang, J; Ibrahim, PN; Bremer, R; Spevak, W; Cho, H Compounds and methods for kinase modulation, and indications therefor US Patent  US9096593 Publication Date 8/4/2015 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM174913
Synonyms:
US9096593, P-2081
Type:
Small organic molecule
Emp. Form.:
C23H25N7O
Mol. Mass.:
415.4909
SMILES:
Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCOCC4)nc3)c2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM26483
Synonyms:
7-(benzyloxy)quinoline | 7-Benzyloxyquinoline
Type:
Small organic molecule
Emp. Form.:
C16H13NO
Mol. Mass.:
235.2805
SMILES:
C(Oc1ccc2cccnc2c1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: