Reaction Details Report a problem with these data
Target
Acyl-CoA (8-3)-desaturase
Ligand
BDBM50257967
Substrate
n/a
Meas. Tech.
ChEMBL_562700 (CHEMBL1012735)
IC50
>30±n/a nM
Citation
Koltun, DO; Parkhill, EQ; Vasilevich, NI; Glushkov, AI; Zilbershtein, TM; Ivanov, AV; Cole, AG; Henderson, I; Zautke, NA; Brunn, SA; Mollova, N; Leung, K; Chisholm, JW; Zablocki, J Novel, potent, selective, and metabolically stable stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett 19:2048-52 (2009) [PubMed] Article
More Info.:
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:
BDBM50257967
Synonyms:
CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethyl)benzylamino)-3-(4-methoxyphenyl)-2-oxoquinoxalin-1(2H)-yl)ethyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C27H24ClF3N4O3
Mol. Mass.:
544.953
SMILES:
COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O