Reaction Details Report a problem with these data
Target
Acyl-CoA desaturase 1
Ligand
BDBM50362586
Substrate
n/a
Meas. Tech.
ChEMBL_798097 (CHEMBL1943234)
IC50
9±n/a nM
Citation
 Lachance, N; Gareau, Y; Guiral, S; Huang, Z; Isabel, E; Leclerc, JP; Léger, S; Martins, E; Nadeau, C; Oballa, RM; Ouellet, SG; Powell, DA; Ramtohul, YK; Tranmer, GK; Trinh, T; Wang, H; Zhang, L Discovery of potent and liver-targeted stearoyl-CoA desaturase (SCD) inhibitors in a bispyrrolidine series. Bioorg Med Chem Lett 22:980-4 (2012) [PubMed]  Article 
Target
Name:
Acyl-CoA desaturase 1
Synonyms:
ACOD1_MOUSE | Scd1
Type:
PROTEIN
Mol. Mass.:
41064.54
Organism:
Mus musculus
Description:
ChEMBL_1462109
Residue:
355
Sequence:
MPAHMLQEISSSYTTTTTITAPPSGNEREKVKTVPLHLEEDIRPEMKEDIHDPTYQDEEGPPPKLEYVWRNIILMVLLHLGGLYGIILVPSCKLYTCLFGIFYYMTSALGITAGAHRLWSHRTYKARLPLRIFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGGKLDMSDLKAEKLVMFQRRYYKPGLLLMCFILPTLVPWYCWGETFVNSLFVSTFLRYTLVLNATWLVNSAAHLYGYRPYDKNIQSRENILVSLGAVGEGFHNYHHTFPFDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKATVLARIKRTGDGSHKSS
  
Inhibitor
Name:
BDBM50362586
Synonyms:
CHEMBL1938874
Type:
Small organic molecule
Emp. Form.:
C19H20ClN7O3S
Mol. Mass.:
461.925
SMILES:
COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1
Structure:
Search PDB for entries with ligand similarity: