Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50257967
Substrate
n/a
Meas. Tech.
ChEMBL_2201646 (CHEMBL5114354)
IC50
0.050±n/a nM
Citation
 Jiang, X; Wu, K; Bai, R; Zhang, P; Zhang, Y Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities. Eur J Med Chem 229:0 (2022) [PubMed] 
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:
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
Structure:
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