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Target
Cytochrome P450 3A4
Ligand
BDBM50365043
Substrate
n/a
Meas. Tech.
ChEMBL_804727 (CHEMBL1953354)
IC50
>30000±n/a nM
Citation
 Sundar, BG; Bailey, TR; Dunn, D; Hostetler, GA; Chatterjee, S; Bacon, ER; Yue, C; Schweizer, D; Aimone, LD; Gruner, JA; Lyons, J; Raddatz, R; Lesur, B Novel morpholine ketone analogs as potent histamine H3 receptor inverse agonists with wake activity. Bioorg Med Chem Lett 22:1546-9 (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:
BDBM50365043
Synonyms:
CHEMBL1951055
Type:
Small organic molecule
Emp. Form.:
C20H30N2O3
Mol. Mass.:
346.4638
SMILES:
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r|
Structure:
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