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Target
Cytochrome P450 3A4
Ligand
BDBM50368785
Substrate
n/a
Meas. Tech.
ChEMBL_1736154 (CHEMBL4151690)
IC50
>10000±n/a nM
Citation
 Amberg, W; Lange, UEW; Ochse, M; Pohlki, F; Behl, B; Relo, AL; Hornberger, W; Hoft, C; Mezler, M; Sydor, J; Wang, Y; Zhao, H; Brewer, JT; Dietrich, J; Li, H; Akritopoulou-Zanze, I; Lao, Y; Hannick, SM; Ku, YY; Vasudevan, A Discovery of Novel Aminotetralines and Aminochromanes as Selective and Competitive Glycine Transporter 1 (GlyT1) Inhibitors. J Med Chem 61:7503-7524 (2018) [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:
BDBM50368785
Synonyms:
CHEMBL4167229
Type:
Small organic molecule
Emp. Form.:
C19H20ClNO
Mol. Mass.:
313.821
SMILES:
Oc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
Structure:
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