Title : Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.

Pub. Date : 2009 Jan 1

PMID : 19062296






2 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 CoMFA-based models for the benzil-analogs described 88%, 95% and 76% of observed activity for hiCE, hCE1 and rCE, respectively. benzil carboxylesterase 1 Homo sapiens
2 A comprehensive model incorporating both benzil and TFK structures described 92%, 85% and 87% of observed activity for hiCE, hCE1 and rCE, respectively. benzil carboxylesterase 1 Homo sapiens