Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM50544476
Substrate
n/a
Meas. Tech.
ChEMBL_1992783 (CHEMBL4626518)
IC50
23±n/a nM
Citation
 Williams, NS; Gonzales, S; Naidoo, J; Rivera-Cancel, G; Voruganti, S; Mallipeddi, P; Theodoropoulos, PC; Geboers, S; Chen, H; Ortiz, F; Posner, B; Nijhawan, D; Ready, JM Tumor-Activated Benzothiazole Inhibitors of Stearoyl-CoA Desaturase. J Med Chem 63:9773-9786 (2020) [PubMed]  Article 
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:
Human
Description:
O00767
Residue:
359
Sequence:
MPAHLLQDDISSSYTTTTTITAPPSRVLQNGGDKLETMPLYLEDDIRPDIKDDIYDPTYKDKEGPSPKVEYVWRNIILMSLLHLGALYGITLIPTCKFYTWLWGVFYYFVSALGITAGAHRLWSHRSYKARLPLRLFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGSTLDLSDLEAEKLVMFQRRYYKPGLLMMCFILPTLVPWYFWGETFQNSVFVATFLRYAVVLNATWLVNSAAHLFGYRPYDKNISPRENILVSLGAVGEGFHNYHHSFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAILARIKRTGDGNYKSG
  
Inhibitor
Name:
BDBM50544476
Synonyms:
CHEMBL4640424
Type:
Small organic molecule
Emp. Form.:
C21H15N3O3S
Mol. Mass.:
389.427
SMILES:
COc1ccc2nc(NC(=O)c3ccc(cc3)C(=O)c3cccnc3)sc2c1
Structure:
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