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Target
Cytochrome P450 3A4
Ligand
BDBM116257
Substrate
n/a
Meas. Tech.
ChEMBL_2169650 (CHEMBL5054709)
IC50
10900±n/a nM
Citation
 Machauer, R; Lueoend, R; Hurth, K; Veenstra, SJ; Rueeger, H; Voegtle, M; Tintelnot-Blomley, M; Rondeau, JM; Jacobson, LH; Laue, G; Beltz, K; Neumann, U Discovery of Umibecestat (CNP520): A Potent, Selective, and Efficacious ?-Secretase (BACE1) Inhibitor for the Prevention of Alzheimer's Disease. J Med Chem 64:15262-15279 (2021) [PubMed]  Article 
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:
BDBM116257
Synonyms:
US10035794, Example 34 | US10683287, Example 34 | US8637508, 34
Type:
Small organic molecule
Emp. Form.:
C19H15ClF7N5O2
Mol. Mass.:
513.797
SMILES:
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,c:7|
Structure:
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