Reaction Details Report a problem with these data
Target
Acyl-CoA desaturase 1
Ligand
BDBM50364041
Substrate
n/a
Meas. Tech.
ChEMBL_805304 (CHEMBL1955197)
IC50
2±n/a nM
Citation
 Lachance, N; Guiral, S; Huang, Z; Leclerc, JP; Li, CS; Oballa, RM; Ramtohul, YK; Wang, H; Wu, J; Zhang, L Discovery of potent and liver-selective stearoyl-CoA desaturase (SCD) inhibitors in an acyclic linker series. Bioorg Med Chem Lett 22:623-7 (2011) [PubMed]  Article 
Target
Name:
Acyl-CoA desaturase 1
Synonyms:
ACOD1_RAT | Acyl-CoA desaturase 1 | Scd | Scd1 | Stearoyl-CoA desaturase 1 (SCD1)
Type:
Enzyme
Mol. Mass.:
41485.97
Organism:
Rattus norvegicus (Rat)
Description:
P07308
Residue:
358
Sequence:
MPAHMLQEISSSYTTTTTITEPPSGNLQNGREKMKKVPLYLEEDIRPEMREDIHDPSYQDEEGPPPKLEYVWRNIILMALLHVGALYGITLIPSSKVYTLLWGIFYYLISALGITAGAHRLWSHRTYKARLPLRIFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGGKLDMSDLKAEKLVMFQRRYYKPGLLLMCFILPTLVPWYCWGETFLHSLFVSTFLRYTLVLNATWLVNSAAHLYGYRPYDKNIQSRENILVSLGAVGEGFHNYHHAFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAVLARIKRTGDGSHKSS
  
Inhibitor
Name:
BDBM50364041
Synonyms:
CHEMBL1950551
Type:
Small organic molecule
Emp. Form.:
C16H13BrF3N5O5S
Mol. Mass.:
524.269
SMILES:
OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1
Structure:
Search PDB for entries with ligand similarity: