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hCES2A-IN-9d

hCES2A-IN-9d : Covalent Inhibitor of CES2

Structure

Information

  • CES2
  • Covalent Inhibitor
  • up to 100 nM

In Vitro Validations

Uniprot ID: O00748
Target Class: Enzyme
Target SubClass: carboxylesterase/lipase
Potency: IC50
Potency Value: 0.12 nM
Potency Assay: Enzymatic assay
PDB ID for probe-target interaction (3D structure): --
Target aliases:
Cocaine esterase, ICE, CES2, EST2_HUMAN, hCE-2, CE ...

DOI Reference: 10.1021/acs.jmedchem.5c00563

Uniprot ID: O00748
Target Class: Enzyme
Target SubClass: carboxylesterase/lipase
Potency: Ki
Potency Value: 0.42 nM
Potency Assay: Binding kinetics assay
PDB ID for probe-target interaction (3D structure): --
Target aliases:
Cocaine esterase, ICE, CES2, EST2_HUMAN, hCE-2, CE ...

DOI Reference: 10.1021/acs.jmedchem.5c00563

Uniprot ID: O00748
Target Class: Enzyme
Target SubClass: carboxylesterase/lipase
Potency Value: kinact 0.052 min–1
Potency Assay: Binding kinetics assay
PDB ID for probe-target interaction (3D structure): --
Target aliases:
Cocaine esterase, ICE, CES2, EST2_HUMAN, hCE-2, CE ...

DOI Reference: 10.1021/acs.jmedchem.5c00563

In Cell Validations

In Vivo Data

No in Vivo Validations

Off-Target Selectivity Assesments

Potency assay (off target): Cpd 9d was 59x selective again CES1A in biochemical assays.
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SERP ratings and comments

No SERP comments found for hCES2A-IN-9d