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Target
Cytochrome P450 2D6
Ligand
BDBM50319828
Substrate
n/a
Meas. Tech.
ChEMBL_634880 (CHEMBL1120512)
IC50
3100±n/a nM
Citation
 Fray, MJ; Fish, PV; Allan, GA; Bish, G; Clarke, N; Eccles, R; Harrison, AC; Le Net, JL; Phillips, SC; Regan, N; Sobry, C; Stobie, A; Wakenhut, F; Westbrook, D; Westbrook, SL; Whitlock, GA Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett 20:3788-92 (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:
BDBM50319828
Synonyms:
(+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine | (-)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine | 1-(1-(2-FLUOROPHENYL)-2-(2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)PIPERAZINE (ENANTIOMERIC MIX) | 1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)phenyl)ethyl)piperazine | CHEMBL1083426
Type:
Small organic molecule
Emp. Form.:
C19H20F4N2O
Mol. Mass.:
368.3685
SMILES:
Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Structure:
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