Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50332241
Substrate
n/a
Meas. Tech.
ChEMBL_685794 (CHEMBL1292550)
IC50
13000±n/a nM
Citation
 Moir, EM; Yoshiizumi, K; Cairns, J; Cowley, P; Ferguson, M; Jeremiah, F; Kiyoi, T; Morphy, R; Tierney, J; Wishart, G; York, M; Baker, J; Cottney, JE; Houghton, AK; McPhail, P; Osprey, A; Walker, G; Adam, JM Design, synthesis, and structure-activity relationship study of bicyclic piperazine analogs of indole-3-carboxamides as novel cannabinoid CB1 receptor agonists. Bioorg Med Chem Lett 20:7327-30 (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:
BDBM50332241
Synonyms:
(S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)(dihydro-1H-pyrido[1,2-a]pyrazin-2(6H,7H,8H,9H,9aH)-yl)methanone | CHEMBL1287846
Type:
Small organic molecule
Emp. Form.:
C25H35N3O2
Mol. Mass.:
409.5643
SMILES:
COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1 |r|
Structure:
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