Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50028166
Substrate
n/a
Meas. Tech.
In vitro CYP3A4 Inhibition Assay
IC50
3000±n/a nM
Citation
 Bareja, SP; Jones, SD; Oblong, JE; Mills, KJ; Bierman, JC Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin US Patent  US9144538 Publication Date 9/29/2015 
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:
BDBM50028166
Synonyms:
CHEMBL934 | METYRAPONE | US9138393, Metyrapone | US9144538, Metyrapone | US9394290, MTP (metyrapone)
Type:
Small organic molecule
Emp. Form.:
C14H14N2O
Mol. Mass.:
226.2738
SMILES:
CC(C)(C(=O)c1cccnc1)c1cccnc1
Structure:
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