Reaction Details Report a problem with these data
Target
Liver carboxylesterase
Ligand
BDBM50412689
Substrate
n/a
Meas. Tech.
ChEMBL_916865 (CHEMBL3082113)
IC50
75±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
Synonyms:
Carboxylesterase | EST1_PIG
Type:
PROTEIN
Mol. Mass.:
62009.98
Organism:
Sus scrofa
Description:
ChEMBL_427761
Residue:
566
Sequence:
MWLLPLVLTSLASSATWAGQPASPPVVDTAQGRVLGKYVSLEGLAQPVAVFLGVPFAKPPLGSLRFAPPQPAEPWSFVKNTTSYPPMCCQDPVVEQMTSDLFTNGKERLTLEFSEDCLYLNIYTPADLTKRGRLPVMVWIHGGGLVLGGAPMYDGVVLAAHENVVVVAIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALHWVQENIANFGGDPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTVALVRKDMKAAAKQIAVLAGCKTTTSAVFVHCLRQKSEDELLDLTLKMKFLTLDFHGDQRESHPFLPTVVDGVLLPKMPEEILAEKDFNTVPYIVGINKQEFGWLLPTMMGFPLSEGKLDQKTATSLLWKSYPIANIPEELTPVATDKYLGGTDDPVKKKDLFLDLMGDVVFGVPSVTVARQHRDAGAPTYMYEFQYRPSFSSDKKPKTVIGDHGDEIFSVFGFPLLKGDAPEEEVSLSKTVMKFWANFARSGNPNGEGLPHWPMYDQEEGYLQIGVNTQAAKRLKGEEVAFWNDLLSKEAAKKPPKIKHAEL
  
Inhibitor
Name:
BDBM50412689
Synonyms:
CHEMBL460809
Type:
Small organic molecule
Emp. Form.:
C11H11F3OS
Mol. Mass.:
248.265
SMILES:
FC(F)(F)C(=O)CSCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: