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Literature summary extracted from

  • Parkinson, E.I.; Jason Hatfield, M.; Tsurkan, L.; Hyatt, J.L.; Edwards, C.C.; Hicks, L.D.; Yan, B.; Potter, P.M.
    Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones (2011), Bioorg. Med. Chem., 19, 4635-4643.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
3.1.1.1 expressed in Spodoptera frugiperda cells and in U373MG cells Homo sapiens
3.1.1.1 expressed in Spodoptera frugiperda cells and in U373MG cells Oryctolagus cuniculus

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.1.1.1 1,2-dicyclohexylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-dicyclohexylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,4-dibromo-1,4-diphenyl butane-2,3-dione irreversible inhibition Homo sapiens
3.1.1.1 1,4-dibromo-1,4-diphenyl butane-2,3-dione irreversible inhibition Oryctolagus cuniculus
3.1.1.1 benzil irreversible inhibition Homo sapiens
3.1.1.1 benzil irreversible inhibition Oryctolagus cuniculus
3.1.1.1 decane-5,6-dione
-
 Homo sapiens
3.1.1.1 decane-5,6-dione
-
 Oryctolagus cuniculus
3.1.1.1 dodecane-6,7-dione
-
 Homo sapiens
3.1.1.1 dodecane-6,7-dione
-
 Oryctolagus cuniculus
3.1.1.1 hexadecane-8,9-dione
-
 Homo sapiens
3.1.1.1 hexadecane-8,9-dione
-
 Oryctolagus cuniculus
3.1.1.1 additional information not inhibited by butane-2,3-dione, hexane 3,4-dione, oxanilide, S1,S2-diphenyl ethane bis(thioate), diphenyl ethanedioate, 1,4-diphenylbutane-2,3-dione, and 1-bromo-1,4-diphenyl butane-2,3-dione Homo sapiens
3.1.1.1 additional information not inhibited by butane-2,3-dione, hexane 3,4-dione, oxanilide, S1,S2-diphenyl ethane bis(thioate), diphenyl ethanedioate, 1,4-diphenylbutane-2,3-dione, and 1-bromo-1,4-diphenyl butane-2,3-dione Oryctolagus cuniculus
3.1.1.1 octadecane-9,10-dione
-
 Homo sapiens
3.1.1.1 octadecane-9,10-dione
-
 Oryctolagus cuniculus
3.1.1.1 octane-4,5-dione
-
 Homo sapiens
3.1.1.1 octane-4,5-dione
-
 Oryctolagus cuniculus
3.1.1.1 phenyl-1,2-butanedione
-
 Homo sapiens
3.1.1.1 phenyl-1,2-butanedione
-
 Oryctolagus cuniculus
3.1.1.1 phenyl-1,2-heptanedione
-
 Homo sapiens
3.1.1.1 phenyl-1,2-heptanedione
-
 Oryctolagus cuniculus
3.1.1.1 phenyl-1,2-hexanedione
-
 Homo sapiens
3.1.1.1 phenyl-1,2-hexanedione
-
 Oryctolagus cuniculus
3.1.1.1 phenyl-1,2-octanedione
-
 Homo sapiens
3.1.1.1 phenyl-1,2-octanedione
-
 Oryctolagus cuniculus
3.1.1.1 phenyl-1,2-pentanedione
-
 Homo sapiens
3.1.1.1 phenyl-1,2-pentanedione
-
 Oryctolagus cuniculus
3.1.1.1 phenyl-1,2-propanedione
-
 Homo sapiens
3.1.1.1 phenyl-1,2-propanedione
-
 Oryctolagus cuniculus
3.1.1.1 tetradecane-7,8-dione
-
 Homo sapiens
3.1.1.1 tetradecane-7,8-dione
-
 Oryctolagus cuniculus

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.1 Homo sapiens
-
-
-
3.1.1.1 Oryctolagus cuniculus
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
3.1.1.1 intestine
-
 Homo sapiens
-
3.1.1.1 liver
-
 Homo sapiens
-
3.1.1.1 liver
-
 Oryctolagus cuniculus
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.1 4-methylumbelliferyl acetate + H2O
-
 Homo sapiens 4-methylumbelliferone + acetate
-
 ?
3.1.1.1 4-methylumbelliferyl acetate + H2O
-
 Oryctolagus cuniculus 4-methylumbelliferone + acetate
-
 ?
3.1.1.1 4-nitrophenyl acetate + H2O
-
 Homo sapiens 4-nitrophenol + acetate
-
 ?
3.1.1.1 4-nitrophenyl acetate + H2O
-
 Oryctolagus cuniculus 4-nitrophenol + acetate
-
 ?
3.1.1.1 CPT-11 + H2O
-
 Homo sapiens SN-38 + 1,4'-bipiperidine-1'-carboxylic acid + CO2
-
 ?
3.1.1.1 CPT-11 + H2O
-
 Oryctolagus cuniculus SN-38 + 1,4'-bipiperidine-1'-carboxylic acid + CO2
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.1 CE1 carboxylesterase from liver Homo sapiens
3.1.1.1 ICE carboxylesterase from intestine Homo sapiens

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
3.1.1.1 0.00000084
-
 octadecane-9,10-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.00000219
-
 phenyl-1,2-octanedione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000003
-
 dodecane-6,7-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000048
-
 tetradecane-7,8-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000005
-
 1,2-dicyclohexylethane-1,2-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000057
-
 octadecane-9,10-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000065
-
 hexadecane-8,9-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.00000665
-
 phenyl-1,2-heptanedione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000076
-
 hexadecane-8,9-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000009
-
 octadecane-9,10-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.000015
-
 benzil enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000151
-
 tetradecane-7,8-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.0000205
-
 1,4-dibromo-1,4-diphenyl butane-2,3-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.0000256
-
 hexadecane-8,9-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000261
-
 phenyl-1,2-hexanedione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000027
-
 1,2-dicyclohexylethane-1,2-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.0000281
-
 phenyl-1,2-octanedione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.0000287
-
 phenyl-1,2-octanedione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000386
-
 dodecane-6,7-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.000045
-
 benzil enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000455
-
 phenyl-1,2-heptanedione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000466
-
 decane-5,6-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000577
-
 dodecane-6,7-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000072
-
 1,2-dicyclohexylethane-1,2-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000727
-
 phenyl-1,2-hexanedione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0000764
-
 tetradecane-7,8-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000102
-
 phenyl-1,2-pentanedione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000102
-
 benzil in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.00011
-
 phenyl-1,2-heptanedione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.000189
-
 decane-5,6-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000334
-
 1,4-dibromo-1,4-diphenyl butane-2,3-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000337
-
 phenyl-1,2-hexanedione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.000401
-
 phenyl-1,2-pentanedione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.000944
-
 decane-5,6-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.00155
-
 phenyl-1,2-butanedione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.00184
-
 phenyl-1,2-propanedione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.00242
-
 phenyl-1,2-butanedione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.00271
-
 phenyl-1,2-pentanedione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.004493
-
 phenyl-1,2-propanedione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.00467
-
 octane-4,5-dione enzyme from intestine (iCE), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.00527
-
 phenyl-1,2-propanedione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.008
-
 1,4-dibromo-1,4-diphenyl butane-2,3-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.00806
-
 octane-4,5-dione enzyme from liver (CE1), in 50 mM HEPES buffer, pH 7.4, at 37°C Homo sapiens
3.1.1.1 0.0125
-
 phenyl-1,2-butanedione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus
3.1.1.1 0.01778
-
 octane-4,5-dione in 50 mM HEPES buffer, pH 7.4, at 37°C Oryctolagus cuniculus