Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50379684
Substrate
n/a
Meas. Tech.
ChEMBL_812034 (CHEMBL2013460)
IC50
5000±n/a nM
Citation
 Davies, DJ; Crowe, M; Lucas, N; Quinn, J; Miller, DD; Pritchard, S; Grose, D; Bettini, E; Calcinaghi, N; Virginio, C; Abberley, L; Goldsmith, P; Michel, AD; Chessell, IP; Kew, JN; Miller, ND; Gunthorpe, MJ A novel series of benzimidazole NR2B-selective NMDA receptor antagonists. Bioorg Med Chem Lett 22:2620-3 (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:
BDBM50379684
Synonyms:
CHEMBL2010883
Type:
Small organic molecule
Emp. Form.:
C18H18FN3
Mol. Mass.:
295.354
SMILES:
Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: