BRENDA - Enzyme Database show

Inhibitors of the NAD(+)-dependent protein desuccinylase and demalonylase Sirt5

Maurer, B.; Rumpf, T.; Scharfe, M.; Stolfa, D.A.; Schmitt, M.L.; He, W.; Verdin, E.; Sippl, W.; Jung, M.; ACS Med. Chem. Lett. 3, 1050-1053 (2012)

Data extracted from this reference:

Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
2.3.1.B43
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
cambinol
-
Homo sapiens
2.3.1.B43
additional information
no inhibition by EX-527, HR 103 or Ro 31-8220
Homo sapiens
2.3.1.B43
nicotinamide
-
Homo sapiens
2.3.1.B43
sirtinol
-
Homo sapiens
2.3.1.B43
suramin
-
Homo sapiens
2.3.1.286
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
; 10% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
; 17% inhibition at 0.05 mM; 20% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
; 13% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
25% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
22% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
41% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
i.e. Ro 31-8220; i.e. Ro 31-8220; i.e. Ro 31-8220
Homo sapiens
2.3.1.286
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
14% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
20% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
13% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
30% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
i.e. EX-527; i.e. EX-527; i.e. EX-527
Homo sapiens
2.3.1.286
cambinol
;
Homo sapiens
2.3.1.286
additional information
no inhibition at 0.05 mM: (5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; no inhibition at 0.05 mM: (5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; no inhibition by EX-527, HR 103 or Ro 31-8220; no inhibition by EX-527, HR 103 or Ro 31-8220; no inhibition by EX-527, HR 103 or Ro 31-8220
Homo sapiens
2.3.1.286
nicotinamide
-
Homo sapiens
2.3.1.286
sirtinol
24% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
suramin
;
Homo sapiens
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
2.3.1.B43
Homo sapiens
Q9NXA8
-
-
2.3.1.286
Homo sapiens
Q8IXJ6
-
-
2.3.1.286
Homo sapiens
Q96EB6
-
-
2.3.1.286
Homo sapiens
Q9NTG7
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.3.1.B43
NAD+ + N2-benzyloxycarbonyl-N6-succinyl-L-lysine-7-amido-4-methylcoumarin
i.e. 3-[(5-[[(benzyloxy)carbonyl]amino]-5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl)carbamoyl]-propanoic acid
728857
Homo sapiens
nicotinamide + N2-benzyloxycarbonyl-L-lysine-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP-ribose
-
-
-
?
2.3.1.286
NAD+ + N2-benzyloxycarbonyl-N6-succinyl-L-lysine-7-amido-4-methylcoumarin
i.e. 3-[(5-[[(benzyloxy)carbonyl]amino]-5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl)carbamoyl]-propanoic acid
728857
Homo sapiens
nicotinamide + N2-benzyloxycarbonyl-L-lysine-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP-ribose
-
-
-
?
2.3.1.286
NAD+ + N2-benzyloxycarbonyl-N6-succinyl-L-lysine-7-amido-4-methylcoumarin
i.e. 3-[(5-[[(benzyloxy)carbonyl]amino]-5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl)carbamoyl]-propanoic acid
728857
Homo sapiens
nicotinamide + N2-benzyloxycarbonyl-L-lysine-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP ribose
-
-
-
?
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
2.3.1.B43
0.0023
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0036
-
pH 8.0, 37°C
Homo sapiens
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0062
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0124
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0126
-
pH 8.0, 37°C
Homo sapiens
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0129
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0166
-
pH 8.0, 37°C
Homo sapiens
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0178
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0224
-
pH 8.0, 37°C
Homo sapiens
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.027
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.03
-
pH 8.0, 37°C
Homo sapiens
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0394
-
pH 8.0, 37°C
Homo sapiens
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.043
-
pH 8.0, 37°C
Homo sapiens
cambinol
2.3.1.B43
0.0465
-
pH 8.0, 37°C
Homo sapiens
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.047
-
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.B43
0.047
-
pH 8.0, 37°C
Homo sapiens
suramin
2.3.1.B43
0.049
-
pH 8.0, 37°C
Homo sapiens
sirtinol
2.3.1.B43
0.0559
-
pH 8.0, 37°C
Homo sapiens
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0673
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0001
0.001
pH 8.0, 37°C
Homo sapiens
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
2.3.1.286
0.0003
0.0026
pH 8.0, 37°C
Homo sapiens
suramin
2.3.1.286
0.0008
-
pH 8.0, 37°C
Homo sapiens
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
2.3.1.286
0.0011
0.02
pH 8.0, 37°C
Homo sapiens
suramin
2.3.1.286
0.0012
0.1
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.286
0.0034
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0035
-
pH 8.0, 37°C
Homo sapiens
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
2.3.1.286
0.0037
-
pH 8.0, 37°C
Homo sapiens
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
2.3.1.286
0.0075
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0087
-
pH 8.0, 37°C
Homo sapiens
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0097
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0098
-
pH 8.0, 37°C
Homo sapiens
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.01
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0104
-
pH 8.0, 37°C
Homo sapiens
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0117
-
pH 8.0, 37°C
Homo sapiens
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0144
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0147
-
pH 8.0, 37°C
Homo sapiens
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.02
0.033
pH 8.0, 37°C
Homo sapiens
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
2.3.1.286
0.0203
-
pH 8.0, 37°C
Homo sapiens
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0293
-
pH 8.0, 37°C
Homo sapiens
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.03
-
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.286
0.0303
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.037
0.131
pH 8.0, 37°C
Homo sapiens
sirtinol
2.3.1.286
0.038
0.058
pH 8.0, 37°C
Homo sapiens
sirtinol
2.3.1.286
0.0403
-
pH 8.0, 37°C
Homo sapiens
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0433
-
pH 8.0, 37°C
Homo sapiens
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0464
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.049
-
pH 8.0, 37°C
Homo sapiens
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
2.3.1.286
0.05
0.1
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.286
0.056
-
pH 8.0, 37°C
Homo sapiens
cambinol
2.3.1.286
0.059
-
pH 8.0, 37°C
Homo sapiens
cambinol
2.3.1.286
0.116
-
pH 8.0, 37°C
Homo sapiens
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
2.3.1.B43
0.0023
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0036
-
pH 8.0, 37°C
Homo sapiens
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0062
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0124
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0126
-
pH 8.0, 37°C
Homo sapiens
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0129
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0166
-
pH 8.0, 37°C
Homo sapiens
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0178
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0224
-
pH 8.0, 37°C
Homo sapiens
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.027
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.03
-
pH 8.0, 37°C
Homo sapiens
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0394
-
pH 8.0, 37°C
Homo sapiens
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.043
-
pH 8.0, 37°C
Homo sapiens
cambinol
2.3.1.B43
0.0465
-
pH 8.0, 37°C
Homo sapiens
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.047
-
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.B43
0.047
-
pH 8.0, 37°C
Homo sapiens
suramin
2.3.1.B43
0.049
-
pH 8.0, 37°C
Homo sapiens
sirtinol
2.3.1.B43
0.0559
-
pH 8.0, 37°C
Homo sapiens
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.B43
0.0673
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0001
0.001
pH 8.0, 37°C
Homo sapiens
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
2.3.1.286
0.0003
0.0026
pH 8.0, 37°C
Homo sapiens
suramin
2.3.1.286
0.0008
-
pH 8.0, 37°C
Homo sapiens
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
2.3.1.286
0.0011
0.02
pH 8.0, 37°C
Homo sapiens
suramin
2.3.1.286
0.0012
0.1
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.286
0.0034
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0035
-
pH 8.0, 37°C
Homo sapiens
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
2.3.1.286
0.0037
-
pH 8.0, 37°C
Homo sapiens
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
2.3.1.286
0.0075
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0087
-
pH 8.0, 37°C
Homo sapiens
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0097
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0098
-
pH 8.0, 37°C
Homo sapiens
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.01
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0104
-
pH 8.0, 37°C
Homo sapiens
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0117
-
pH 8.0, 37°C
Homo sapiens
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0144
-
pH 8.0, 37°C
Homo sapiens
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0147
-
pH 8.0, 37°C
Homo sapiens
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.02
0.033
pH 8.0, 37°C
Homo sapiens
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
2.3.1.286
0.0203
-
pH 8.0, 37°C
Homo sapiens
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0293
-
pH 8.0, 37°C
Homo sapiens
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.03
-
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.286
0.0303
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.037
0.131
pH 8.0, 37°C
Homo sapiens
sirtinol
2.3.1.286
0.038
0.058
pH 8.0, 37°C
Homo sapiens
sirtinol
2.3.1.286
0.0403
-
pH 8.0, 37°C
Homo sapiens
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0433
-
pH 8.0, 37°C
Homo sapiens
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.0464
-
pH 8.0, 37°C
Homo sapiens
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
2.3.1.286
0.049
-
pH 8.0, 37°C
Homo sapiens
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
2.3.1.286
0.05
0.1
pH 8.0, 37°C
Homo sapiens
nicotinamide
2.3.1.286
0.056
-
pH 8.0, 37°C
Homo sapiens
cambinol
2.3.1.286
0.059
-
pH 8.0, 37°C
Homo sapiens
cambinol
2.3.1.286
0.116
-
pH 8.0, 37°C
Homo sapiens
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
2.3.1.B43
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.B43
cambinol
-
Homo sapiens
2.3.1.B43
additional information
no inhibition by EX-527, HR 103 or Ro 31-8220
Homo sapiens
2.3.1.B43
nicotinamide
-
Homo sapiens
2.3.1.B43
sirtinol
-
Homo sapiens
2.3.1.B43
suramin
-
Homo sapiens
2.3.1.286
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
(5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
10% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
20% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
17% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
13% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
25% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
(5E)-5-[4-(benzyloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
22% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
41% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
2-[1-[3-(amidinothio)propyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)maleimide methanesulfonate
i.e. Ro 31-8220
Homo sapiens
2.3.1.286
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
14% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
5-(biphenyl-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
20% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
5-[(6-methoxynaphthalen-1-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-(benzyloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-(propan-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
13% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
5-[4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[4-[(4-bromobenzyl)oxy]benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
-
Homo sapiens
2.3.1.286
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
30% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
i.e. EX-527
Homo sapiens
2.3.1.286
cambinol
-
Homo sapiens
2.3.1.286
additional information
no inhibition by EX-527, HR 103 or Ro 31-8220
Homo sapiens
2.3.1.286
additional information
no inhibition at 0.05 mM: (5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; no inhibition by EX-527, HR 103 or Ro 31-8220
Homo sapiens
2.3.1.286
additional information
no inhibition at 0.05 mM: (5E)-1-ethyl-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; no inhibition by EX-527, HR 103 or Ro 31-8220
Homo sapiens
2.3.1.286
nicotinamide
-
Homo sapiens
2.3.1.286
sirtinol
-
Homo sapiens
2.3.1.286
sirtinol
24% inhibition at 0.05 mM
Homo sapiens
2.3.1.286
suramin
-
Homo sapiens
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.3.1.B43
NAD+ + N2-benzyloxycarbonyl-N6-succinyl-L-lysine-7-amido-4-methylcoumarin
i.e. 3-[(5-[[(benzyloxy)carbonyl]amino]-5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl)carbamoyl]-propanoic acid
728857
Homo sapiens
nicotinamide + N2-benzyloxycarbonyl-L-lysine-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP-ribose
-
-
-
?
2.3.1.286
NAD+ + N2-benzyloxycarbonyl-N6-succinyl-L-lysine-7-amido-4-methylcoumarin
i.e. 3-[(5-[[(benzyloxy)carbonyl]amino]-5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl)carbamoyl]-propanoic acid
728857
Homo sapiens
nicotinamide + N2-benzyloxycarbonyl-L-lysine-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP-ribose
-
-
-
?
2.3.1.286
NAD+ + N2-benzyloxycarbonyl-N6-succinyl-L-lysine-7-amido-4-methylcoumarin
i.e. 3-[(5-[[(benzyloxy)carbonyl]amino]-5-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl)carbamoyl]-propanoic acid
728857
Homo sapiens
nicotinamide + N2-benzyloxycarbonyl-L-lysine-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP ribose
-
-
-
?