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Target
Cytochrome P450 2D6
Ligand
BDBM50325616
Substrate
n/a
Meas. Tech.
ChEMBL_652285 (CHEMBL1225488)
IC50
1000±n/a nM
Citation
 Lucas, MC; Weikert, RJ; Carter, DS; Cai, HY; Greenhouse, R; Iyer, PS; Lin, CJ; Lee, EK; Madera, AM; Moore, A; Ozboya, K; Schoenfeld, RC; Steiner, S; Zhai, Y; Lynch, SM Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain. Bioorg Med Chem Lett 20:5559-66 (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:
BDBM50325616
Synonyms:
(7-fluoro-1H-indol-5-yl)(3-isobutyl pyrrolidin-3-yl)methanone | (7-fluoro-1H-indol-5-yl)(3-isobutylpyrrolidin-3-yl)methanone | CHEMBL1224490
Type:
Small organic molecule
Emp. Form.:
C17H21FN2O
Mol. Mass.:
288.3598
SMILES:
CC(C)CC1(CCNC1)C(=O)c1cc(F)c2[nH]ccc2c1
Structure:
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