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Target
Cytochrome P450 2D6
Ligand
BDBM50125278
Substrate
n/a
Meas. Tech.
ChEBML_51742
IC50
22000±n/a nM
Citation
 Blackie, JA; Bloomer, JC; Brown, MJ; Cheng, HY; Hammond, B; Hickey, DM; Ife, RJ; Leach, CA; Lewis, VA; Macphee, CH; Milliner, KJ; Moores, KE; Pinto, IL; Smith, SA; Stansfield, IG; Stanway, SJ; Taylor, MA; Theobald, CJ The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2. Bioorg Med Chem Lett 13:1067-70 (2003) [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:
BDBM50125278
Synonyms:
CHEMBL274551 | N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-5-propyl-4H-pyrimidin-1-yl]-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C36H40F4N4O2S
Mol. Mass.:
668.787
SMILES:
CCCc1cn(CC(=O)N(CCN(CC)CC)Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)c(SCc2ccc(F)cc2)nc1=O
Structure:
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