Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50490590
Substrate
n/a
Meas. Tech.
ChEMBL_943618 (CHEMBL2343885)
IC50
3981±n/a nM
Citation
 Van Orden, LJ; Van Dyke, PM; Saito, DR; Church, TJ; Chang, R; Smith, JA; Martin, WJ; Jaw-Tsai, S; Stangeland, EL A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake inhibitors: synthesis and structure-activity relationships. Bioorg Med Chem Lett 23:1456-61 (2013) [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:
BDBM50490590
Synonyms:
CHEMBL2338053
Type:
Small organic molecule
Emp. Form.:
C17H15F4NO
Mol. Mass.:
325.3007
SMILES:
[H][C@]1(CCNC1)[C@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r|
Structure:
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