Reaction Details Report a problem with these data
Target
Acyl-CoA (8-3)-desaturase
Ligand
BDBM50393165
Substrate
n/a
Meas. Tech.
ChEMBL_852948 (CHEMBL2154132)
IC50
>100000000±n/a nM
Citation
 Oballa, RM; Belair, L; Black, WC; Bleasby, K; Chan, CC; Desroches, C; Du, X; Gordon, R; Guay, J; Guiral, S; Hafey, MJ; Hamelin, E; Huang, Z; Kennedy, B; Lachance, N; Landry, F; Li, CS; Mancini, J; Normandin, D; Pocai, A; Powell, DA; Ramtohul, YK; Skorey, K; Sørensen, D; Sturkenboom, W; Styhler, A; Waddleton, DM; Wang, H; Wong, S; Xu, L; Zhang, L Development of a liver-targeted stearoyl-CoA desaturase (SCD) inhibitor (MK-8245) to establish a therapeutic window for the treatment of diabetes and dyslipidemia. J Med Chem 54:5082-96 (2011) [PubMed]  Article 
Target
Name:
Acyl-CoA (8-3)-desaturase
Synonyms:
FADS1_RAT | Fads1 | Fatty acid desaturase 1
Type:
PROTEIN
Mol. Mass.:
52505.96
Organism:
Rattus norvegicus
Description:
ChEMBL_852948
Residue:
447
Sequence:
MAPDPVQTPDPASAQLRQMRYFTWEEVAQRSGREKERWLVIDRKVYNISDFSRRHPGGSRVISHYAGQDATDPFVAFHINKGLVRKYMNSLLIGELAPEQPSFEPTKNKALTDEFRELRATVERMGLMKANHLFFLFYLLHILLLDVAAWLTLWIFGTSLVPFTLCAVLLSTVQAQAGWLQHDFGHLSVFSTSTWNHLVHHFVIGHLKGAPASWWNHMHFQHHAKPNCFRKDPDINMHPLFFALGKVLSVELGKEKKKHMPYNHQHKYFFLIGPPALLPLYFQWYIFYFVVQRKKWVDLAWMLSFYVRVFFTYMPLLGLKGLLCLFFIVRFLESNWFVWVTQMNHIPMHIDHDRNVDWVSTQLQATCNVHQSAFNNWFSGHLNFQIEHHLFPTMPRHNYHKVAPLVQSLCAKYGIKYESKPLLTAFADIVYSLKESGQLWLDAYLHQ
  
Inhibitor
Name:
BDBM50393165
Synonyms:
CHEMBL2153600
Type:
Small organic molecule
Emp. Form.:
C14H13BrFN7OS
Mol. Mass.:
426.267
SMILES:
Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1
Structure:
Search PDB for entries with ligand similarity: