Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50382048
Substrate
n/a
Meas. Tech.
ChEMBL_815371 (CHEMBL2026875)
IC50
>100000±n/a nM
Citation
 Skidmore, J; Atcha, Z; Boucherat, E; Castelletti, L; Chen, DW; Coppo, FT; Cutler, L; Dunsdon, RM; Heath, BM; Hutchings, R; Hurst, DN; Javed, S; Martin, S; Maskell, ES; Norton, D; Pemberton, DJ; Redshaw, S; Rutter, R; Sehmi, SS; Scoccitti, T; Temple, HE; Theobald, P; Ward, RW; Wilson, DM The discovery of 2-fluoro-N-(3-fluoro-4-(5-((4-morpholinobutyl)amino)-1,3,4-oxadiazol-2-yl)phenyl)benzamide, a full agonist of the alpha-7 nicotinic acetylcholine receptor showing efficacy in the novel object recognition model of cognition enhancement. Bioorg Med Chem Lett 22:3531-4 (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:
BDBM50382048
Synonyms:
CHEMBL2022739
Type:
Small organic molecule
Emp. Form.:
C23H25F2N5O3
Mol. Mass.:
457.4731
SMILES:
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1
Structure:
Search PDB for entries with ligand similarity: