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Target
Cytochrome P450 3A4
Ligand
BDBM50397688
Substrate
n/a
Meas. Tech.
ChEMBL_874112 (CHEMBL2187053)
IC50
30±n/a nM
Citation
 Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Design and synthesis of potent, orally efficacious hydroxyethylamine derivedß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J Med Chem 55:9025-44 (2012) [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:
BDBM50397688
Synonyms:
CHEMBL2181896
Type:
Small organic molecule
Emp. Form.:
C31H41N3O4
Mol. Mass.:
519.6749
SMILES:
COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
Structure:
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