Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50034556
Substrate
n/a
Meas. Tech.
ChEMBL_1439477 (CHEMBL3381254)
IC50
>50000±n/a nM
Citation
 Skidmore, J; Heer, J; Johnson, CN; Norton, D; Redshaw, S; Sweeting, J; Hurst, D; Cridland, A; Vesey, D; Wall, I; Ahmed, M; Rivers, D; Myatt, J; Giblin, G; Philpott, K; Kumar, U; Stevens, A; Bit, RA; Haynes, A; Taylor, S; Watson, R; Witherington, J; Demont, E; Heightman, TD Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles. J Med Chem 57:10424-42 (2014) [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:
BDBM50034556
Synonyms:
CHEMBL3359844
Type:
Small organic molecule
Emp. Form.:
C24H26ClN3O5
Mol. Mass.:
471.933
SMILES:
CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Structure:
Search PDB for entries with ligand similarity: