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Target
Cytochrome P450 2D6
Ligand
BDBM50334925
Substrate
n/a
Meas. Tech.
ChEMBL_699581 (CHEMBL1647939)
IC50
100±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 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50334925
Synonyms:
(S)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine | CHEMBL1643518
Type:
Small organic molecule
Emp. Form.:
C16H16Cl2N2
Mol. Mass.:
307.218
SMILES:
CN[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Structure:
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