Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM186593
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay
pH
7.5±n/a
IC50
1±n/a nM
Comments
extracted
Citation
 Lachance, N; Leclerc, J; Li, CS; Moradei, OM Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase US Patent  US9168248 Publication Date 10/27/2015 
Target
Name:
Stearoyl-CoA desaturase
Synonyms:
Acyl-CoA desaturase | FADS5 | SCD | SCD1 | SCDOS | SCD_HUMAN | Stearoyl-CoA (SCD1) | Stearoyl-CoA desaturase 1
Type:
Enzyme
Mol. Mass.:
41537.27
Organism:
Homo sapiens (Human)
Description:
O00767
Residue:
359
Sequence:
MPAHLLQDDISSSYTTTTTITAPPSRVLQNGGDKLETMPLYLEDDIRPDIKDDIYDPTYKDKEGPSPKVEYVWRNIILMSLLHLGALYGITLIPTCKFYTWLWGVFYYFVSALGITAGAHRLWSHRSYKARLPLRLFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGSTLDLSDLEAEKLVMFQRRYYKPGLLMMCFILPTLVPWYFWGETFQNSVFVATFLRYAVVLNATWLVNSAAHLFGYRPYDKNISPRENILVSLGAVGEGFHNYHHSFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAILARIKRTGDGNYKSG
  
Inhibitor
Name:
BDBM186593
Synonyms:
US9168248, 17
Type:
Small organic molecule
Emp. Form.:
C19H18F3N7O4S
Mol. Mass.:
497.451
SMILES:
OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC2(CC1)CCc1c(OC(F)(F)F)cccc1O2
Structure:
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