Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50525869
Substrate
n/a
Meas. Tech.
ChEMBL_1898351 (CHEMBL4400386)
IC50
>18000±n/a nM
Citation
 Meng, W; Adam, LP; Behnia, K; Zhao, L; Yang, R; Kopcho, LM; Locke, GA; Taylor, DS; Yin, X; Wexler, RR; Finlay, H Benzothiazole-based compounds as potent endothelial lipase inhibitors. Bioorg Med Chem Lett 29:0 (2019) [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:
BDBM50525869
Synonyms:
CHEMBL4587475
Type:
Small organic molecule
Emp. Form.:
C21H18N4O2S
Mol. Mass.:
390.458
SMILES:
O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccccc1)NC1CC1
Structure:
Search PDB for entries with ligand similarity: