Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50447539
Substrate
n/a
Meas. Tech.
ChEMBL_1289243 (CHEMBL3119695)
IC50
40000±n/a nM
Citation
 Wang, Y; Yang, W; Finlay, HJ; Harikrishnan, LS; Jiang, J; Kamau, MG; Van Kirk, K; Nirschl, DS; Taylor, DS; Chen, AY; Yin, X; Sleph, PG; Yang, RZ; Huang, CS; Adam, LP; Lawrence, RM; Wexler, RR; Salvati, ME Diphenylpyridylethanamine (DPPE)-based aminoheterocycles as cholesteryl ester transfer protein inhibitors. Bioorg Med Chem Lett 24:860-4 (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:
BDBM50447539
Synonyms:
CHEMBL3116158
Type:
Small organic molecule
Emp. Form.:
C25H16ClF8N3OS
Mol. Mass.:
593.919
SMILES:
FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc(cs1)C(F)(F)F)c1ccc(Cl)cn1 |r|
Structure:
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