Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50324116
Substrate
n/a
Meas. Tech.
ChEMBL_649883 (CHEMBL1219581)
IC50
>10000±n/a nM
Citation
 Arhancet, GB; Woodard, SS; Iyanar, K; Case, BL; Woerndle, R; Dietz, JD; Garland, DJ; Collins, JT; Payne, MA; Blinn, JR; Pomposiello, SI; Hu, X; Heron, MI; Huang, HC; Lee, LF Discovery of novel cyanodihydropyridines as potent mineralocorticoid receptor antagonists. J Med Chem 53:5970-8 (2010) [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:
BDBM50324116
Synonyms:
(R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chloro-4-fluorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate | CHEMBL1215623
Type:
Small organic molecule
Emp. Form.:
C17H14ClFN6O2
Mol. Mass.:
388.783
SMILES:
COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:13|
Structure:
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