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Literature summary for 3.1.1.13 extracted from

  • Singh, H.; Singh, J.V.; Gupta, M.K.; Singh, P.; Sharma, S.; Nepali, K.; Bedi, P.M.S.
    Benzoflavones as cholesterol esterase inhibitors Synthesis, biological evaluation and docking studies (2017), Bioorg. Med. Chem. Lett., 27, 850-854 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
2-(2,3-dichlorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2,4-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2,4-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2,5-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2,6-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2-bromophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2-fluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(2-iodophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3,4-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3,4-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3,5-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one mixed-type inhibition. A-12 fits well in the catalytic site and is stabilized by hydrophobic interactions. It completely blocks the catalytic assembly of the enzyme and prevents it to participate in ester hydrolysis mechanism. The favorable binding confor Homo sapiens
2-(3,5-dinitrophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3-bromophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3-chlorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3-fluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3-methoxyphenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(3-nitrophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(4-bromophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(4-fluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(4-iodophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(4-methoxyphenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(4-methylphenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-(4-nitrophenyl)-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-phenyl-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[2-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[2-fluoro-6-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[3,5-bis(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[3-(chloromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[3-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[3-fluoro-5-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[4-(chloromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[4-(dimethylamino)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[4-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[4-fluoro-2-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
2-[5-fluoro-2-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
-
Homo sapiens
3-(4-oxo-4H-naphtho[1,2-b]pyran-2-yl)phenyl acetate
-
Homo sapiens
4-(4-oxo-4H-naphtho[1,2-b]pyran-2-yl)phenyl acetate
-
Homo sapiens
additional information benzoflavones as cholesterol esterase inhibitors, synthesis, biological evaluation, and molecular protein-ligand docking studies using the active site structure of the human CEase (PDB ID 1F6W), overview. 7,8-benzoflavone derivatives are synthesized and evaluated for their inhibitory potential against cholesterol esterase Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P19835
-
-

Source Tissue

Source Tissue Comment Organism Textmining
pancreas
-
Homo sapiens
-

Synonyms

Synonyms Comment Organism
BAL
-
Homo sapiens
bile-salt activated lipase
-
Homo sapiens
CEase
-
Homo sapiens
cel
-
Homo sapiens
cholesterol esterase
-
Homo sapiens
hCEase
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00000078
-
at pH 7.0 and 25°C Homo sapiens 2-(3,5-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00000143
-
at pH 7.0 and 25°C Homo sapiens 2-(2,4-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00000199
-
at pH 7.0 and 25°C Homo sapiens 2-(2,6-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00000322
-
at pH 7.0 and 25°C Homo sapiens 2-(2-fluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00000524
-
at pH 7.0 and 25°C Homo sapiens 2-(3-fluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00000681
-
at pH 7.0 and 25°C Homo sapiens 2-(2,5-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00000699
-
at pH 7.0 and 25°C Homo sapiens 2-(3-chlorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00001085
-
at pH 7.0 and 25°C Homo sapiens 2-(2,3-dichlorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00001101
-
at pH 7.0 and 25°C Homo sapiens 2-(2-bromophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00001408
-
at pH 7.0 and 25°C Homo sapiens 2-(3,4-difluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00001612
-
at pH 7.0 and 25°C Homo sapiens 2-(2-iodophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.0000201
-
at pH 7.0 and 25°C Homo sapiens 2-(4-fluorophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00002514
-
at pH 7.0 and 25°C Homo sapiens 2-(3-nitrophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00002609
-
at pH 7.0 and 25°C Homo sapiens 2-(3-bromophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00002851
-
at pH 7.0 and 25°C Homo sapiens 2-(4-bromophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00003004
-
at pH 7.0 and 25°C Homo sapiens 2-(3,5-dinitrophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00003415
-
at pH 7.0 and 25°C Homo sapiens 2-(4-iodophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00003733
-
at pH 7.0 and 25°C Homo sapiens 2-(4-nitrophenyl)-4H-naphtho[1,2-b]pyran-4-one
0.00003889
-
at pH 7.0 and 25°C Homo sapiens 2-[2-fluoro-6-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00003898
-
at pH 7.0 and 25°C Homo sapiens 2-[2-fluoro-4-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00003908
-
at pH 7.0 and 25°C Homo sapiens 2-[4-fluoro-2-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00003923
-
at pH 7.0 and 25°C Homo sapiens 2-[4-(chloromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00004003
-
at pH 7.0 and 25°C Homo sapiens 2-[3-(chloromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00004128
-
at pH 7.0 and 25°C Homo sapiens 2-[5-fluoro-2-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00004299
-
at pH 7.0 and 25°C Homo sapiens 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
0.00004303
-
at pH 7.0 and 25°C Homo sapiens 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one