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Literature summary for 3.6.1.12 extracted from

  • Llona-Minguez, S.; Hoeglund, A.; Jacques, S.A.; Johansson, L.; Calderon-Montano, J.M.; Claesson, M.; Loseva, O.; Valerie, N.C.K.; Lundbaeck, T.; Piedrafita, J.; Maga, G.; Crespan, E.; Meijer, L.; Moron, E.B.; Baranczewski, P.; Hagbjoerk, A.L.; Svensson, R.; Wiita, E.; Almloef, I.; Visnes, T.; Jeppsson, F.; Sigmundsson, K.; Jensen, A.J.; Artursson, P.; Jemth, A.-S.; Stenmark, P.; Berglund, U.W.; Scobie, M.; Helleday, T.
    Discovery of the first potent and selective inhibitors of human dCTP pyrophosphatase 1 (2016), J. Med. Chem., 59, 1140-1148 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.6.1.12

Inhibitors

Inhibitors Comment Organism Structure
(2-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
-
 Homo sapiens
(3-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
-
 Homo sapiens
(4-((4-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
-
 Homo sapiens
(4-((5,6-dichloro-2-cyclopropyl-4-nitro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)boronic acid
-
 Homo sapiens
(4-((5,6-dichloro-2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-phenyl)boronic acid
-
 Homo sapiens
(4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
-
 Homo sapiens
(4-((5,6-difluoro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
-
 Homo sapiens
1-(4-(1H-pyrazol-1-yl)benzyl)-5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazole
-
 Homo sapiens
1-(4-(1H-pyrrol-1-yl)benzyl)-5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazole
-
 Homo sapiens
1-(4-methoxybenzyl)-1H-benzo[d]imidazole
-
 Homo sapiens
1-(4-methoxybenzyl)-2,5,6-trimethyl-1H-benzo[d]imidazole
-
 Homo sapiens
1-(4-methoxybenzyl)-2,5,6-trimethyl-4-nitro-1H-benzo[d]-imidazole
-
 Homo sapiens
1-(4-methoxybenzyl)-2-methyl-1H-benzo[d]imidazole
-
 Homo sapiens
1-(4-methoxybenzyl)-2-methyl-4-nitro-1H-benzo[d]imidazole
-
 Homo sapiens
1-(4-methoxybenzyl)-5,6-dimethyl-1H-benzo[d]imidazole
-
 Homo sapiens
1-(benzenesulfonyl)-5,6-dichloro-2-methyl-4-nitro-1H-benzimidazole
-
 Homo sapiens
1-benzyl-5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazole
-
 Homo sapiens
2-(4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl)methyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
-
 Homo sapiens
4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl)methyl)phenol
-
 Homo sapiens
4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)-2-methylthiazole
-
 Homo sapiens
4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)benzaldehyde
-
 Homo sapiens
4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)benzoic acid
-
 Homo sapiens
4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)benzonitrile
-
 Homo sapiens
4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl acetate
-
 Homo sapiens
5,6-dichloro-1-((6-chloropyridin-3-yl)methyl)-2-methyl-4-nitro-1H-benzo[d]imidazole
-
 Homo sapiens
5,6-dichloro-1-(2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl)-2-methyl-4-nitro-1H-benzo[d]imidazole
-
 Homo sapiens
5,6-dichloro-1-(4-methoxybenzyl)-2-methyl-1H-benzo[d]-imidazole
-
 Homo sapiens
5,6-dichloro-1-(4-methoxybenzyl)-2-methyl-4-nitro-1H-benzo-[d]imidazole
-
 Homo sapiens
5,6-dichloro-2-methyl-1-(4-methylbenzyl)-4-nitro-1H-benzo[d]-imidazole
-
 Homo sapiens
5,6-dichloro-2-methyl-4-nitro-1-(phenylsulfonyl)-1H-benzo[d]imidazole
-
 Homo sapiens
5,6-dichloro-2-methyl-4-nitro-1-phenyl-1H-benzo-[d]imidazole
-
 Homo sapiens
5-aza-dCTP
-
 Homo sapiens
boronate
-
 Homo sapiens
decitabine
-
 Homo sapiens
methyl 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)methyl)benzoate
-
 Homo sapiens
additional information discovery of selective inhibitors of human dCTP pyrophosphatase 1, synthesis of a series of benzimidazole derivatives, overview. N-Methyliminodiacetic acid (MIDA) boronate esters can be prepared from the parent boronic acids using Knapp's procedure. No inhibition by 1-(4-methoxybenzyl)-2-methyl-1H-benzo[d]imidazole Homo sapiens
triptolide
-
 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens Q9H773
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HL-60 cell
-
 Homo sapiens
-

Synonyms

Synonyms Comment Organism
all-alpha nucleoside triphosphate pyrophosphatase
-
 Homo sapiens
dCTP pyrophosphatase 1
-
 Homo sapiens
dCTPase
-
 Homo sapiens
NTP pyrophosphatase
-
 Homo sapiens
XTP3TPA
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000019
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-2-methyl-1-(4-methylbenzyl)-4-nitro-1H-benzo[d]-imidazole
0.000021
-
 pH 8.0, 22°C Homo sapiens 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl)methyl)phenol
0.000027
-
 pH 8.0, 22°C Homo sapiens (4-((5,6-dichloro-2-cyclopropyl-4-nitro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)boronic acid
0.000034
-
 pH 8.0, 22°C Homo sapiens 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl acetate
0.000041
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-1-(4-methoxybenzyl)-2-methyl-4-nitro-1H-benzo-[d]imidazole
0.000046
-
 pH 8.0, 22°C Homo sapiens (2-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
0.000046
-
 pH 8.0, 22°C Homo sapiens (4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
0.000047
-
 pH 8.0, 22°C Homo sapiens 2-(4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl)methyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
0.000049
-
 pH 8.0, 22°C Homo sapiens 1-benzyl-5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazole
0.000057
-
 pH 8.0, 22°C Homo sapiens 1-(4-methoxybenzyl)-2,5,6-trimethyl-4-nitro-1H-benzo[d]-imidazole
0.000073
-
 pH 8.0, 22°C Homo sapiens 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)benzoic acid
0.000074
-
 pH 8.0, 22°C Homo sapiens 1-(benzenesulfonyl)-5,6-dichloro-2-methyl-4-nitro-1H-benzimidazole
0.000075
-
 pH 8.0, 22°C Homo sapiens 1-(4-(1H-pyrazol-1-yl)benzyl)-5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazole
0.000082
-
 pH 8.0, 22°C Homo sapiens (3-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
0.000085
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-2-methyl-4-nitro-1-phenyl-1H-benzo-[d]imidazole
0.000095
-
 pH 8.0, 22°C Homo sapiens methyl 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)methyl)benzoate
0.000109
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-1-(2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl)-2-methyl-4-nitro-1H-benzo[d]imidazole
0.000133
-
 pH 8.0, 22°C Homo sapiens 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)benzaldehyde
0.000165
-
 pH 8.0, 22°C Homo sapiens 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)benzonitrile
0.000185
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-1-((6-chloropyridin-3-yl)methyl)-2-methyl-4-nitro-1H-benzo[d]imidazole
0.000205
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-2-methyl-4-nitro-1-(phenylsulfonyl)-1H-benzo[d]imidazole
0.000206
-
 pH 8.0, 22°C Homo sapiens (4-((4-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
0.00024
-
 pH 8.0, 22°C Homo sapiens 4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)-2-methylthiazole
0.000248
-
 pH 8.0, 22°C Homo sapiens (4-((5,6-dichloro-2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-phenyl)boronic acid
0.000331
-
 pH 8.0, 22°C Homo sapiens 1-(4-(1H-pyrrol-1-yl)benzyl)-5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazole
0.000529
-
 pH 8.0, 22°C Homo sapiens (4-((5,6-difluoro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)-methyl)phenyl)boronic acid
0.00145
-
 pH 8.0, 22°C Homo sapiens 1-(4-methoxybenzyl)-2-methyl-4-nitro-1H-benzo[d]imidazole
0.012
-
 pH 8.0, 22°C Homo sapiens 5,6-dichloro-1-(4-methoxybenzyl)-2-methyl-1H-benzo[d]-imidazole
0.022
-
 pH 8.0, 22°C Homo sapiens 1-(4-methoxybenzyl)-2,5,6-trimethyl-1H-benzo[d]imidazole
0.1
-
 pH 8.0, 22°C Homo sapiens 1-(4-methoxybenzyl)-1H-benzo[d]imidazole
0.1
-
 pH 8.0, 22°C Homo sapiens 1-(4-methoxybenzyl)-2-methyl-1H-benzo[d]imidazole
0.1
-
 pH 8.0, 22°C Homo sapiens 1-(4-methoxybenzyl)-5,6-dimethyl-1H-benzo[d]imidazole

General Information

General Information Comment Organism
malfunction potent and selective dCTPase inhibitors enhance the cytotoxic effect of cytidine analogues in leukemia cells Homo sapiens
physiological function the dCTPase pyrophosphatase 1 (dCTPase) is an all-alpha nucleoside triphosphate (NTP) pyrophosphatase responsible for dNTP pool house-cleaning. It regulates the intracellular nucleotide pool through hydrolytic degradation of canonical and noncanonical nucleotide triphosphates (dNTPs). dCTPase is highly expressed in multiple carcinomas and is associated with cancer cell stemness Homo sapiens