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Literature summary for 3.1.1.1 extracted from

  • Hyatt, J.L.; Moak, T.; Hatfield, M.J.; Tsurkan, L.; Edwards, C.C.; Wierdl, M.; Danks, M.K.; Wadkins, R.M.; Potter, P.M.
    Selective inhibition of carboxylesterases by isatins, indole-2,3-diones (2007), J. Med. Chem., 50, 1876-1885.
    View publication on PubMed
Search for more literature for 3.1.1.1

Cloned(Commentary)

Cloned (Comment) Organism
expression in sf21 cell Oryctolagus cuniculus
expression in sf21 cell Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
molecular modeling of istatin analogue inhibitors into crystal structure of isoform hCE1 Oryctolagus cuniculus
molecular modeling of istatin analogue inhibitors into crystal structure of isoform hCE1 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1,1'-ethane-1,2-diylbis(1H-indole-2,3-dione) comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1,1'-ethane-1,2-diylbis(1H-indole-2,3-dione) comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-(2-bromoethyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-(2-bromoethyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-(2-iodoethyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-(2-iodoethyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-(4-(4[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzyl)benzyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-(4-(4[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzyl)benzyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-(4-chlorobenzyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-(4-chlorobenzyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-([(2-bromophenyl)amino]methyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-([(2-bromophenyl)amino]methyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-([(4-chlorophenyl)amino]methyl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-([(4-chlorophenyl)amino]methyl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-benzyl-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-benzyl-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-dodecyl-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-dodecyl-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-hexadecyl-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-hexadecyl-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-phenyl-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-phenyl-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
1-[(2-naphthylamino)methyl]-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
1-[(2-naphthylamino)methyl]-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
4,6-dichloro-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
4,6-dichloro-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
4,7-dichloro-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
4,7-dichloro-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus
5-bromo-1-(2-methylprop-2-en-1-yl)-1H-indole-2,3-dione comparison with inhibition of human acetyl- and butyrylcholinesterase and rabbit carboxyesterase rCE Homo sapiens
5-bromo-1-(2-methylprop-2-en-1-yl)-1H-indole-2,3-dione comparison with inhibition of human carboxyesterases hCE1 and hiCE and with acetyl- and butyrylcholinesterase Oryctolagus cuniculus

Organism

Organism UniProt Comment Textmining
Homo sapiens P23141 isoforms hCE1 and hiCE
-
Oryctolagus cuniculus
-
 isoform rCE
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
 Oryctolagus cuniculus
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2-nitrophenyl acetate + H2O
-
 Oryctolagus cuniculus 2-nitrophenol + acetate
-
 ?
2-nitrophenyl acetate + H2O
-
 Homo sapiens 2-nitrophenol + acetate
-
 ?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000006
-
 1-(4-(4[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzyl)benzyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.000008
-
 1-(4-(4[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzyl)benzyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.000008
-
 1-dodecyl-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00001
-
 1-dodecyl-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00001
-
 1-(4-(4[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzyl)benzyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.000011
-
 1-hexadecyl-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.000023
-
 1-phenyl-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.000025
-
 1-(4-chlorobenzyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.000031
-
 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.000032
-
 1-(4-chlorobenzyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.000047
-
 1-([(2-bromophenyl)amino]methyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.000065
-
 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.000066
-
 5-bromo-1-(2-methylprop-2-en-1-yl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.000067
-
 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.000088
-
 1-dodecyl-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00011
-
 1-[(2-naphthylamino)methyl]-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00013
-
 5-bromo-1-(2-methylprop-2-en-1-yl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00013
-
 1-(2-iodoethyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00016
-
 1-hexadecyl-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.0002
-
 1-([(4-chlorophenyl)amino]methyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00028
-
 5-bromo-1-(2-methylprop-2-en-1-yl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00029
-
 1-(2-bromoethyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00041
-
 4,7-dichloro-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00053
-
 4,6-dichloro-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00059
-
 4,7-dichloro-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00061
-
 1-phenyl-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00061
-
 1-([(4-chlorophenyl)amino]methyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00062
-
 4,6-dichloro-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00065
-
 4,7-dichloro-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00074
-
 1-(2-iodoethyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00075
-
 1-(4-chlorobenzyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00087
-
 1-benzyl-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00089
-
 4,6-dichloro-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00095
-
 1-phenyl-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.00112
-
 1-([(4-chlorophenyl)amino]methyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00115
-
 1-([(2-bromophenyl)amino]methyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00154
-
 1,1'-ethane-1,2-diylbis(1H-indole-2,3-dione) isoform hiCE Homo sapiens
0.00156
-
 1,1'-ethane-1,2-diylbis(1H-indole-2,3-dione) isoform hCE1 Homo sapiens
0.00158
-
 1-(2-bromoethyl)-1H-indole-2,3-dione isoform hiCE Homo sapiens
0.0017
-
 1-benzyl-1H-indole-2,3-dione isoform hCE1 Homo sapiens
0.00215
-
 1-(2-iodoethyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.00515
-
 1-(2-bromoethyl)-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.0105
-
 1,1'-ethane-1,2-diylbis(1H-indole-2,3-dione)
-
 Oryctolagus cuniculus
0.019
-
 1-benzyl-1H-indole-2,3-dione
-
 Oryctolagus cuniculus
0.036
-
 1-([(2-bromophenyl)amino]methyl)-1H-indole-2,3-dione isoform hCE1 Homo sapiens