Reaction Details Report a problem with these data
Target
Liver carboxylesterase B-1
Ligand
BDBM50371969
Substrate
n/a
Meas. Tech.
ChEMBL_916866 (CHEMBL3082114)
IC50
115±n/a nM
Citation
 Wheelock, CE; Severson, TF; Hammock, BD Synthesis of new carboxylesterase inhibitors and evaluation of potency and water solubility. Chem Res Toxicol 14:1563-72 (2001) [PubMed]  Article 
Target
Name:
Liver carboxylesterase B-1
Synonyms:
3.1.1.1 | EST5_RAT | Liver carboxylesterase B-1 | Liver microsomal carboxylesterase
Type:
PROTEIN
Mol. Mass.:
62495.56
Organism:
Rattus norvegicus
Description:
ChEMBL_106642
Residue:
561
Sequence:
MCLRSLFLVSLATCVVCGNPSSPPVVDTMKGKVLGKYASLEGVTQSVAVFLGVPFAKPPLGSLRFAPPQPAEPWSFVKNTTTYPPMCSQDATKGQRMNDLLTNRKEKVHLQFSEDCLYLNIYTPADFTKDSRMPVMVWIHGGGLTQGGASTYDGQVLSAYENVVVVAIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALHWVQDNIANFGGDPGSVTIFGESAGGFSVSVLVLSPLSKNLYHRAISESGVVLITELFTKDVRPAAKQIADMAGCKTTTSAIIVHCLRQKTEEELLEIMEKMNLIKLSSQRDTKESYHFLSTVIDDVVLPKDPKEILAEKNFNTVPYIVGINKQECGWLLPTMMRFVPPDVKLDKKMAIMLLEKFASIYGIPEDIIPVAIEKYRKGSDDPIKIRDGILAFIGDVLFCIPSVMVSRDHRDAGAPTYVYEYQYYPSFSSPQRPKDVVGDHADDVYSVFGAPILRDGASEEEIKLSKMVMKFWANFARNGNPNARGLPHWPQYDQKEEYLQIGATTQQSQRLKAEEVAFWTQLLAKRQPQPHHNEL
  
Inhibitor
Name:
BDBM50371969
Synonyms:
CHEMBL270374
Type:
Small organic molecule
Emp. Form.:
C13H23F3OS
Mol. Mass.:
284.381
SMILES:
CCCCCCCCCCSCC(=O)C(F)(F)F
Structure:
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