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Target
Liver carboxylesterase
Ligand
BDBM50166873
Substrate
n/a
Meas. Tech.
ChEMBL_1573073 (CHEMBL3802359)
IC50
840±n/a nM
Citation
 Pember, SO; Mejia, GL; Price, TJ; Pasteris, RJ Piperidinyl thiazole isoxazolines: A new series of highly potent, slowly reversible FAAH inhibitors with analgesic properties. Bioorg Med Chem Lett 26:2965-2973 (2016) [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:
BDBM50166873
Synonyms:
CHEMBL3800456
Type:
Small organic molecule
Emp. Form.:
C25H25N3O3S
Mol. Mass.:
447.549
SMILES:
Cc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24|
Structure:
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