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Target
Liver carboxylesterase
Ligand
BDBM50412692
Substrate
n/a
Meas. Tech.
ChEMBL_916865 (CHEMBL3082113)
IC50
5640±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:
BDBM50412692
Synonyms:
CHEMBL460807
Type:
Small organic molecule
Emp. Form.:
C11H21F3O4S
Mol. Mass.:
306.342
SMILES:
CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Structure:
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