Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM202618
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
310.15±n/a K
IC50
33000±n/a nM
Comments
extracted
Citation
 Andreini, M; Gabellieri, E; Guba, W; Hilpert, H; Mayweg, AV; Narquizian, R; Power, E; Travagli, M; Woltering, T; Wostl, W; Mauser, H 1,4 oxazines as BACE1 and/or BACE2 inhibitors US Patent  US9242943 Publication Date 1/26/2016 
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:
BDBM202618
Synonyms:
US9242943, 27
Type:
Small organic molecule
Emp. Form.:
C20H17Cl2FN4O
Mol. Mass.:
419.28
SMILES:
C[C@]1(COCC(N)=N1)c1cc(Nc2cc(Cl)cc3cc(Cl)cnc23)ccc1F |r,c:6|
Structure:
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