Literature summary for 3.1.1.13 extracted from

Wei, Y.; Peng, A.Y.; Wang, B.; Ma, L.; Peng, G.; Du, Y.; Tang, J.
Synthesis and biological evaluation of phosphorylated flavonoids as potent and selective inhibitors of cholesterol esterase (2014), Eur. J. Med. Chem., 74, 751-758.

Inhibitors

Inhibitors	Comment	Organism
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one	-	Sus scrofa
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one	-	Sus scrofa
2-[3,4-bis[(diethoxyphosphinyl)oxy]phenyl]-4-oxo-4H-1-benzopyran-3,5,7-triyl phosphoric acid hexaethyl ester	-	Sus scrofa
2-[3,4-bis[(diethoxyphosphinyl)oxy]phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-3,7-diyl phosphoric acid tetraethyl ester	-	Sus scrofa
2-[3,4-bis[(diethoxyphosphoryl)oxy]phenyl]-4-oxo-4H-chromene-5,7-diyl tetraethyl bis(phosphate)	-	Sus scrofa
2-[3-[(diethoxyphosphinyl)oxy]-4-methoxy-phenyl]-4-oxo-4H-1-benzopyran-5,7-diyl phosphoric acid tetraethyl ester	-	Sus scrofa
2-[4-[(diethoxyphosphoryl)oxy]phenyl]-4-oxo-4H-chromene-5,7-diyl tetraethyl bis(phosphate)	-	Sus scrofa
2-[[4-(diethoxyphosphinyl)oxy]phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl phosphoric acid diethyl ester	-	Sus scrofa
3-[[4-(diethoxyphosphinyl)oxy]phenyl]-4-oxo-4H-1-benzopyran-5,7-diyl phosphoric acid tetraethyl ester	-	Sus scrofa
3-[[4-(diethoxyphosphinyl)oxy]phenyl]-4-oxo-4H-1-benzopyran-7-yl phosphoric acid diethyl ester	-	Sus scrofa
3-[[4-(diethoxyphosphinyl)oxy]phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl phosphoric acid diethyl ester	-	Sus scrofa
4-oxo-2-phenyl-4H-1-benzopyran-5,6,7-triyl phosphoric acid hexaethyl ester	-	Sus scrofa
4-oxo-2-phenyl-4H-1-benzopyran-7-yl phosphoric acid dimethyl ester	-	Sus scrofa
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one	-	Sus scrofa
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one	-	Sus scrofa
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one	-	Sus scrofa
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-6,7-diyl phosphoric acid tetraethyl ester	-	Sus scrofa
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl phosphoric acid diethyl ester	-	Sus scrofa
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl phosphoric acid dimethyl ester	-	Sus scrofa
diethyl 4-oxo-2-phenyl-4H-chromen-6-yl phosphate	-	Sus scrofa
diethyl 4-oxo-2-phenyl-4H-chromen-7-yl phosphate	-	Sus scrofa
dimethyl 5-hydroxy-4-oxo-2-phenyl-4H-chromen-4',7-yl phosphate	-	Sus scrofa
additional information	not inhibited by 4-oxo-2-phenyl-4H-1-benzopyran-6-yl phosphoric acid dimethyl ester	Sus scrofa
tetraethyl 4-oxo-2-phenyl-4H-chromene-5,7-diyl bis(phosphate)	-	Sus scrofa

Organism

Organism	UniProt	Comment	Textmining
Sus scrofa	-	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
pancreas	-	Sus scrofa	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
cholesteryl oleate + H2O	-	Sus scrofa	cholesterol + oleic acid	-	?

Synonyms

Synonyms	Comment	Organism
CEase	-	Sus scrofa
cholesterol esterase	-	Sus scrofa

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.00000072	-	at pH 7.0 and 25°C	Sus scrofa	5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl phosphoric acid diethyl ester
0.00000185	-	at pH 7.0 and 25°C	Sus scrofa	3-[[4-(diethoxyphosphinyl)oxy]phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl phosphoric acid diethyl ester
0.00000244	-	at pH 7.0 and 25°C	Sus scrofa	diethyl 4-oxo-2-phenyl-4H-chromen-7-yl phosphate
0.00000376	-	at pH 7.0 and 25°C	Sus scrofa	tetraethyl 4-oxo-2-phenyl-4H-chromene-5,7-diyl bis(phosphate)
0.00000389	-	at pH 7.0 and 25°C	Sus scrofa	2-[3,4-bis[(diethoxyphosphoryl)oxy]phenyl]-4-oxo-4H-chromene-5,7-diyl tetraethyl bis(phosphate)
0.00000418	-	at pH 7.0 and 25°C	Sus scrofa	2-[[4-(diethoxyphosphinyl)oxy]phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl phosphoric acid diethyl ester
0.00000462	-	at pH 7.0 and 25°C	Sus scrofa	3-[[4-(diethoxyphosphinyl)oxy]phenyl]-4-oxo-4H-1-benzopyran-5,7-diyl phosphoric acid tetraethyl ester
0.0000257	-	at pH 7.0 and 25°C	Sus scrofa	3-[[4-(diethoxyphosphinyl)oxy]phenyl]-4-oxo-4H-1-benzopyran-7-yl phosphoric acid diethyl ester
0.0000261	-	at pH 7.0 and 25°C	Sus scrofa	2-[4-[(diethoxyphosphoryl)oxy]phenyl]-4-oxo-4H-chromene-5,7-diyl tetraethyl bis(phosphate)
0.0000367	-	at pH 7.0 and 25°C	Sus scrofa	2-[3,4-bis[(diethoxyphosphinyl)oxy]phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-3,7-diyl phosphoric acid tetraethyl ester
0.0000404	-	at pH 7.0 and 25°C	Sus scrofa	2-[3,4-bis[(diethoxyphosphinyl)oxy]phenyl]-4-oxo-4H-1-benzopyran-3,5,7-triyl phosphoric acid hexaethyl ester
0.000206	-	at pH 7.0 and 25°C	Sus scrofa	2-[3-[(diethoxyphosphinyl)oxy]-4-methoxy-phenyl]-4-oxo-4H-1-benzopyran-5,7-diyl phosphoric acid tetraethyl ester
0.00027	-	at pH 7.0 and 25°C	Sus scrofa	dimethyl 5-hydroxy-4-oxo-2-phenyl-4H-chromen-4',7-yl phosphate
0.00039	-	at pH 7.0 and 25°C	Sus scrofa	diethyl 4-oxo-2-phenyl-4H-chromen-6-yl phosphate
0.00069	-	at pH 7.0 and 25°C	Sus scrofa	4-oxo-2-phenyl-4H-1-benzopyran-7-yl phosphoric acid dimethyl ester
0.00134	-	at pH 7.0 and 25°C	Sus scrofa	4-oxo-2-phenyl-4H-1-benzopyran-5,6,7-triyl phosphoric acid hexaethyl ester
0.00472	-	at pH 7.0 and 25°C	Sus scrofa	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
0.0123	-	at pH 7.0 and 25°C	Sus scrofa	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
0.0209	-	at pH 7.0 and 25°C	Sus scrofa	5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
0.0281	-	at pH 7.0 and 25°C	Sus scrofa	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
0.0357	-	at pH 7.0 and 25°C	Sus scrofa	5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
0.17	-	at pH 7.0 and 25°C	Sus scrofa	5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl phosphoric acid dimethyl ester
0.43	-	at pH 7.0 and 25°C	Sus scrofa	5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-6,7-diyl phosphoric acid tetraethyl ester