BRENDA - Enzyme Database show

Application of virtual screening to the discovery of novel nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with potential for the treatment of cancer and axonopathies

Clark, D.E.; Waszkowycz, B.; Wong, M.; Lockey, P.M.; Adalbert, R.; Gilley, J.; Clark, J.; Coleman, M.P.; Bioorg. Med. Chem. Lett. 26, 2920-2926 (2016)

Data extracted from this reference:

Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
2.4.2.12
(2E)-1-(4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
-
Homo sapiens
2.4.2.12
(2E)-3-(pyridin-3-yl)-1-[4-[4-(trifluoromethoxy)benzyl]piperazin-1-yl]prop-2-en-1-one
-
Homo sapiens
2.4.2.12
(2E)-3-(pyridin-3-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
-
Homo sapiens
2.4.2.12
(2E)-N-[2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-6-yl)oxy]ethyl]-3-(pyridin-3-yl)prop-2-enamide
-
Homo sapiens
2.4.2.12
(2E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(pyridin-3-yl)prop-2-enamide
-
Homo sapiens
2.4.2.12
1-[2-(naphthalen-2-yloxy)ethyl]-3-(pyridin-3-ylmethyl)urea
-
Homo sapiens
2.4.2.12
1H-indol-2-yl(4-[[3-(pyridin-3-yl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl)methanone
-
Homo sapiens
2.4.2.12
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
-
Homo sapiens
2.4.2.12
4-[([7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,4-dihydroquinazolin-6-yl]methyl)(prop-2-yn-1-yl)amino]-N-[(pyridin-3-yl)methyl]benzamide
-
Homo sapiens
2.4.2.12
4-[[(2E)-3-(pyridin-3-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
-
Homo sapiens
2.4.2.12
5-(3,4-dichlorobenzyl)-4-oxo-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
-
Homo sapiens
2.4.2.12
CHS828
-
Homo sapiens
2.4.2.12
FK866
-
Homo sapiens
2.4.2.12
N-(4-butylphenyl)-2-(pyridin-3-yl)cyclopropanecarboxamide
-
Homo sapiens
2.4.2.12
N-[4-(1-propyl-1H-pyrazole-3-sulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide
-
Homo sapiens
2.4.2.12
N-[4-(phenylsulfonyl)benzyl]-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
-
Homo sapiens
2.4.2.12
[4-(diphenylmethyl)piperazin-1-yl][5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
-
Homo sapiens
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
2.4.2.12
nicotinamide + 5-phospho-alpha-D-ribose 1-diphosphate
Homo sapiens
-
nicotinamide D-ribonucleotide + diphosphate
-
-
?
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
2.4.2.12
Homo sapiens
P43490
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.4.2.12
nicotinamide + 5-phospho-alpha-D-ribose 1-diphosphate
-
735765
Homo sapiens
nicotinamide D-ribonucleotide + diphosphate
-
-
-
?
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
2.4.2.12
0.0000051
-
pH and temperature not specified in the publication
Homo sapiens
N-[4-(1-propyl-1H-pyrazole-3-sulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide
2.4.2.12
0.0000418
-
pH and temperature not specified in the publication
Homo sapiens
N-(4-butylphenyl)-2-(pyridin-3-yl)cyclopropanecarboxamide
2.4.2.12
0.000043
-
pH and temperature not specified in the publication
Homo sapiens
N-[4-(phenylsulfonyl)benzyl]-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
2.4.2.12
0.00022
-
pH and temperature not specified in the publication
Homo sapiens
4-[[(2E)-3-(pyridin-3-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
2.4.2.12
0.0002427
-
pH and temperature not specified in the publication
Homo sapiens
[4-(diphenylmethyl)piperazin-1-yl][5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
2.4.2.12
0.00032
-
pH and temperature not specified in the publication
Homo sapiens
5-(3,4-dichlorobenzyl)-4-oxo-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
2.4.2.12
0.00067
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-3-(pyridin-3-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
2.4.2.12
0.00078
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-3-(pyridin-3-yl)-1-[4-[4-(trifluoromethoxy)benzyl]piperazin-1-yl]prop-2-en-1-one
2.4.2.12
0.00094
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-N-[2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-6-yl)oxy]ethyl]-3-(pyridin-3-yl)prop-2-enamide
2.4.2.12
0.0019
-
pH and temperature not specified in the publication
Homo sapiens
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
2.4.2.12
0.0032
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-1-(4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
2.4.2.12
0.0038
-
pH and temperature not specified in the publication
Homo sapiens
1H-indol-2-yl(4-[[3-(pyridin-3-yl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl)methanone
2.4.2.12
0.005
-
pH and temperature not specified in the publication
Homo sapiens
1-[2-(naphthalen-2-yloxy)ethyl]-3-(pyridin-3-ylmethyl)urea
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
2.4.2.12
0.0000051
-
pH and temperature not specified in the publication
Homo sapiens
N-[4-(1-propyl-1H-pyrazole-3-sulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide
2.4.2.12
0.0000418
-
pH and temperature not specified in the publication
Homo sapiens
N-(4-butylphenyl)-2-(pyridin-3-yl)cyclopropanecarboxamide
2.4.2.12
0.000043
-
pH and temperature not specified in the publication
Homo sapiens
N-[4-(phenylsulfonyl)benzyl]-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
2.4.2.12
0.00022
-
pH and temperature not specified in the publication
Homo sapiens
4-[[(2E)-3-(pyridin-3-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
2.4.2.12
0.0002427
-
pH and temperature not specified in the publication
Homo sapiens
[4-(diphenylmethyl)piperazin-1-yl][5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
2.4.2.12
0.00032
-
pH and temperature not specified in the publication
Homo sapiens
5-(3,4-dichlorobenzyl)-4-oxo-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
2.4.2.12
0.00067
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-3-(pyridin-3-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
2.4.2.12
0.00078
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-3-(pyridin-3-yl)-1-[4-[4-(trifluoromethoxy)benzyl]piperazin-1-yl]prop-2-en-1-one
2.4.2.12
0.00094
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-N-[2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-6-yl)oxy]ethyl]-3-(pyridin-3-yl)prop-2-enamide
2.4.2.12
0.0019
-
pH and temperature not specified in the publication
Homo sapiens
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
2.4.2.12
0.0032
-
pH and temperature not specified in the publication
Homo sapiens
(2E)-1-(4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
2.4.2.12
0.0038
-
pH and temperature not specified in the publication
Homo sapiens
1H-indol-2-yl(4-[[3-(pyridin-3-yl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl)methanone
2.4.2.12
0.005
-
pH and temperature not specified in the publication
Homo sapiens
1-[2-(naphthalen-2-yloxy)ethyl]-3-(pyridin-3-ylmethyl)urea
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
2.4.2.12
(2E)-1-(4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
-
Homo sapiens
2.4.2.12
(2E)-3-(pyridin-3-yl)-1-[4-[4-(trifluoromethoxy)benzyl]piperazin-1-yl]prop-2-en-1-one
-
Homo sapiens
2.4.2.12
(2E)-3-(pyridin-3-yl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
-
Homo sapiens
2.4.2.12
(2E)-N-[2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-6-yl)oxy]ethyl]-3-(pyridin-3-yl)prop-2-enamide
-
Homo sapiens
2.4.2.12
(2E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(pyridin-3-yl)prop-2-enamide
-
Homo sapiens
2.4.2.12
1-[2-(naphthalen-2-yloxy)ethyl]-3-(pyridin-3-ylmethyl)urea
-
Homo sapiens
2.4.2.12
1H-indol-2-yl(4-[[3-(pyridin-3-yl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl)methanone
-
Homo sapiens
2.4.2.12
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
-
Homo sapiens
2.4.2.12
4-[([7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,4-dihydroquinazolin-6-yl]methyl)(prop-2-yn-1-yl)amino]-N-[(pyridin-3-yl)methyl]benzamide
-
Homo sapiens
2.4.2.12
4-[[(2E)-3-(pyridin-3-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
-
Homo sapiens
2.4.2.12
5-(3,4-dichlorobenzyl)-4-oxo-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
-
Homo sapiens
2.4.2.12
CHS828
-
Homo sapiens
2.4.2.12
FK866
-
Homo sapiens
2.4.2.12
N-(4-butylphenyl)-2-(pyridin-3-yl)cyclopropanecarboxamide
-
Homo sapiens
2.4.2.12
N-[4-(1-propyl-1H-pyrazole-3-sulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide
-
Homo sapiens
2.4.2.12
N-[4-(phenylsulfonyl)benzyl]-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
-
Homo sapiens
2.4.2.12
[4-(diphenylmethyl)piperazin-1-yl][5-(pyridin-3-yl)-1H-pyrazol-3-yl]methanone
-
Homo sapiens
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
2.4.2.12
nicotinamide + 5-phospho-alpha-D-ribose 1-diphosphate
Homo sapiens
-
nicotinamide D-ribonucleotide + diphosphate
-
-
?
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.4.2.12
nicotinamide + 5-phospho-alpha-D-ribose 1-diphosphate
-
735765
Homo sapiens
nicotinamide D-ribonucleotide + diphosphate
-
-
-
?