Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50364920
Substrate
n/a
Meas. Tech.
ChEMBL_804278 (CHEMBL1954292)
IC50
>20000±n/a nM
Citation
 Cheng, YX; Pourashraf, M; Luo, X; Srivastava, S; Walpole, C; Salois, D; St-Onge, S; Payza, K; Lessard, E; Yu, XH; Tomaszewski, MJ ¿-Carbolines: a novel class of cannabinoid agonists with high aqueous solubility and restricted CNS penetration. Bioorg Med Chem Lett 22:1619-24 (2012) [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:
BDBM50364920
Synonyms:
CHEMBL1950351
Type:
Small organic molecule
Emp. Form.:
C25H35N3O4S
Mol. Mass.:
473.628
SMILES:
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Structure:
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