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Target
Cytochrome P450 3A4
Ligand
BDBM50334919
Substrate
n/a
Meas. Tech.
ChEMBL_699582 (CHEMBL1647940)
IC50
>25000±n/a nM
Citation
 Shao, L; Ma, J; Wang, F; Malcolm, SC; Hewitt, MC; Campbell, UC; Spicer, NA; Hardy, LW; Schreiber, R; Spear, KL; Varney, MA Discovery of 1-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine, a dual serotonin and dopamine reuptake inhibitor. Bioorg Med Chem Lett 21:520-3 (2010) [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:
BDBM50334919
Synonyms:
(R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine | CHEMBL1643513
Type:
Small organic molecule
Emp. Form.:
C16H16Cl2N2
Mol. Mass.:
307.218
SMILES:
CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Structure:
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