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Literature summary for 4.2.99.18 extracted from

  • Zawahir, Z.; Dayam, R.; Deng, J.; Pereira, C.; Neamati, N.
    Pharmacophore guided discovery of small-molecule human apurinic/apyrimidinic endonuclease 1 inhibitors (2009), J. Med. Chem., 52, 20-32.
    View publication on PubMed

Application

Application Comment Organism
drug development APE1 is an attractive therapeutic target in anticancer drug development, there is a link of APE1 overexpression in many cancers to resistance of tumor cells to radio- and chemotherapy. APE1 shows a protective effect in several cancer cell models to a variety of DNA damaging agents. Homo sapiens

Cloned(Commentary)

Cloned (Comment) Organism
His-tagged APE1 is expressed in Escherichia coli M15 cells Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
2,2'-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetic acid
-
Homo sapiens
2,2'-(3,7-dioxo-5,7-dihydro-1H,3H-benzo[1,2-c:4,5-c']difuran-1,5-diyl)diacetic acid
-
Homo sapiens
2,2'-[(2,5-dimethylfuran-3,4-diyl)bis(carbonylimino)]diacetic acid
-
Homo sapiens
2,2'-[(6-oxo-6H-benzo[c]chromene-1,3-diyl)bis(oxy)]dipropanoic acid
-
Homo sapiens
2,2'-[(6-phenylpyrimidine-2,4-diyl)disulfanediyl]diacetic acid
-
Homo sapiens
2,2'-[butane-1,4-diylbis(1H-benzimidazole-2,1-diyl)]diacetic acid
-
Homo sapiens
2-((Z)-2-oxo-3-(4-oxo-2-thioxothiazolidin-5-ylidene)indolin-1-yl)acetic acid potent inhibitory activity Homo sapiens
2-(5-((2-(2-carboxyphenyl)-1,3-dioxo)-2,3-dihydro-1H-isoindol-5-yl)carbonyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid potent inhibitory activity Homo sapiens
2-[(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
-
Homo sapiens
3,3'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)dipropanoic acid
-
Homo sapiens
3,3'-(2-thioxo-1H-benzimidazole-1,3(2H)-diyl)dipropanoic acid
-
Homo sapiens
3-((3,4-dimethylphenoxy)methyl)furan-2-carboxylic acid
-
Homo sapiens
3-((pyridin-2-ylthio)methyl)benzofuran-2-carboxylic acid
-
Homo sapiens
3-(1-(carboxymethyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl)propanoic acid potent inhibitory activity Homo sapiens
3-(1-(carboxymethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl)propanoic acid potent inhibitory activity Homo sapiens
3-(1-(carboxymethyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid potent inhibitory activity Homo sapiens
3-(1-(carboxymethyl)-5-p-tolyl-1H-pyrrol-2-yl)propanoic acid
-
Homo sapiens
3-(2-carboxyethyl)-4-hydroxyquinoline-6-carboxylic acid
-
Homo sapiens
3-(5-((E)-(3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid potent inhibitory activity Homo sapiens
3-[(4Z)-4-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-oxo-2-thioxoimidazolidin-1-yl]propanoic acid
-
Homo sapiens
3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid
-
Homo sapiens
3-[[4-(carboxymethyl)benzyl]sulfanyl]-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-5-carboxylic acid
-
Homo sapiens
4-((2-carboxyphenoxy)methyl)-2,5-dimethylfuran-3-carboxylic acid potent inhibitory activity Homo sapiens
4-(4-(4-carboxyphenoxy)phenylsulfonyl)benzene-1,2-dioic acid
-
Homo sapiens
4-(4-(4-carboxyphenylsulfonyl)phenyl)sulfanylbenzene-1,2-dioic acid potent inhibitory activity Homo sapiens
4-(4-(4-carboxyphenylthio)phenylsulfonyl)benzene-1,2-dioic acid potent inhibitory activity Homo sapiens
4-([[(3-carboxy-5-methylfuran-2-yl)methyl]sulfanyl]methyl)-5-methylfuran-2-carboxylic acid
-
Homo sapiens
4-[(4Z)-4-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-oxo-2-thioxoimidazolidin-1-yl]butanoic acid
-
Homo sapiens
4-[[(2-carboxypropyl)sulfanyl]methyl]-5-methylfuran-2-carboxylic acid
-
Homo sapiens
5,5'-[methanediylbis(sulfanediylmethanediyl)]bis(2-methylfuran-3-carboxylic acid)
-
Homo sapiens
5-(((tetrahydrofuran-2-yl)methylthio)methyl)-2-methylfuran-3-carboxylic acid
-
Homo sapiens
5-([[(4-carboxy-5-methylfuran-2-yl)methyl]sulfanyl]methyl)-3-methylfuran-2-carboxylic acid
-
Homo sapiens
[(3Z)-3-(3-[[(2-hydroxyphenyl)carbonyl]amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
-
Homo sapiens
[(3Z)-3-[3-(4-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
-
Homo sapiens
[(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
-
Homo sapiens

Metals/Ions

Metals/Ions Comment Organism Structure
Mn2+ active site Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
DNA Homo sapiens base excision repair (BERa) pathway is initiated by lesion-specific glycosylases that excise the damaged base from the sugar-phosphate backbone, resulting in a potentially cytotoxic apurinic/apyrimidinic (AP) site intermediate that becomes the substrate for the major human AP endonuclease fragments of DNA
-
?
additional information Homo sapiens APE1 appears to have endonucleolytic activity as a repair enzyme within the nucleotide incision repair pathway ?
-
?
additional information Homo sapiens APE1 hydrolytically cleaves the phosphodiester backbone 5' to the AP site, leaving a 3'-hydroxyl and a 5'-abasic deoxyribose phosphate to be processed by the subsequent cascade of BER enzymes ?
-
?
additional information Homo sapiens APE1 is a fundamental protein in this essential repair pathway and is thought to be responsible for more than 95% of total AP endonuclease activity in human cell culture extracts ?
-
?
additional information Homo sapiens APE1 utilizes a site located in its N-terminus for redox regulation of important transcription factors such as NF-kappaB, p53, c-Fos, and c-Jun ?
-
?
additional information Homo sapiens In addition to its primary AP site incision function, APE1 exhibits 3'-5' exonuclease, 3'-phosphodiesterase and RNase H catalysis, and a 3'-phosphatase activity ?
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens P27695
-
-

Purification (Commentary)

Purification (Comment) Organism
His-tagged APE1 is purified from Escherichia coli M15 cells by using Ni-affinity chromatography with Swell-gel Nickel-chelated discs Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
DNA base excision repair (BERa) pathway is initiated by lesion-specific glycosylases that excise the damaged base from the sugar-phosphate backbone, resulting in a potentially cytotoxic apurinic/apyrimidinic (AP) site intermediate that becomes the substrate for the major human AP endonuclease Homo sapiens fragments of DNA
-
?
additional information APE1 appears to have endonucleolytic activity as a repair enzyme within the nucleotide incision repair pathway Homo sapiens ?
-
?
additional information APE1 hydrolytically cleaves the phosphodiester backbone 5' to the AP site, leaving a 3'-hydroxyl and a 5'-abasic deoxyribose phosphate to be processed by the subsequent cascade of BER enzymes Homo sapiens ?
-
?
additional information APE1 is a fundamental protein in this essential repair pathway and is thought to be responsible for more than 95% of total AP endonuclease activity in human cell culture extracts Homo sapiens ?
-
?
additional information APE1 utilizes a site located in its N-terminus for redox regulation of important transcription factors such as NF-kappaB, p53, c-Fos, and c-Jun Homo sapiens ?
-
?
additional information In addition to its primary AP site incision function, APE1 exhibits 3'-5' exonuclease, 3'-phosphodiesterase and RNase H catalysis, and a 3'-phosphatase activity Homo sapiens ?
-
?
additional information 25-mer oligonucleotide 5'-labeled with P32 containing tetrahydrofuran as abasic site analog Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
APE1
-
Homo sapiens
apurinic/apyrimidinic endonuclease 1
-
Homo sapiens
Ref-1
-
Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
assay at Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
additional information
-
The APE1 inhibitory profile of some of the most potent compounds indicates that along with two terminal fingerprint negatively ionizable features or bioisostere groups of negatively ionizable features, an optimum sized central hydrophobic core with or without a favorably substituted H-bond acceptor-donor functional group is essential for a compound being recognized by APE1 and inhibit its catalytic activity Homo sapiens additional information
0.003
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2-[(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
0.004
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-(1-(carboxymethyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl)propanoic acid
0.004
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-(4-(4-carboxyphenylthio)phenylsulfonyl)benzene-1,2-dioic acid
0.004
-
small-molecule inhibitor containing 4 H-bond acceptors and 3 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2,2'-[butane-1,4-diylbis(1H-benzimidazole-2,1-diyl)]diacetic acid
0.005
-
small-molecule inhibitor containing 4 H-bond acceptors and 3 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 5,5'-[methanediylbis(sulfanediylmethanediyl)]bis(2-methylfuran-3-carboxylic acid)
0.006
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-((2-carboxyphenoxy)methyl)-2,5-dimethylfuran-3-carboxylic acid
0.006
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-(5-((E)-(3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
0.006
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. Then, 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-(4-(4-carboxyphenylsulfonyl)phenyl)sulfanylbenzene-1,2-dioic acid
0.006
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens [(3Z)-3-[3-(4-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
0.006
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-[(4Z)-4-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-oxo-2-thioxoimidazolidin-1-yl]propanoic acid
0.006
-
small-molecule inhibitor containing 4 H-bond acceptors and 3 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 5-([[(4-carboxy-5-methylfuran-2-yl)methyl]sulfanyl]methyl)-3-methylfuran-2-carboxylic acid
0.008
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2-(5-(2-(2-carboxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid
0.008
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2,2'-[(6-oxo-6H-benzo[c]chromene-1,3-diyl)bis(oxy)]dipropanoic acid
0.009
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-(1-(carboxymethyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid
0.009
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-(1-(carboxymethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl)propanoic acid
0.009
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2-((Z)-2-oxo-3-(4-oxo-2-thioxothiazolidin-5-ylidene)indolin-1-yl)acetic acid
0.01
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-(4-(4-carboxyphenoxy)phenylsulfonyl)benzene-1,2-dioic acid
0.011
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-((3,4-dimethylphenoxy)methyl)furan-2-carboxylic acid
0.011
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50 mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2,2'-(3,7-dioxo-5,7-dihydro-1H,3H-benzo[1,2-c:4,5-c']difuran-1,5-diyl)diacetic acid
0.011
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens [(3Z)-3-(3-[[(2-hydroxyphenyl)carbonyl]amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
0.012
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-(1-(carboxymethyl)-5-p-tolyl-1H-pyrrol-2-yl)propanoic acid
0.012
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-[(4Z)-4-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-5-oxo-2-thioxoimidazolidin-1-yl]butanoic acid
0.013
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens [(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.015
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3,3'-(2-thioxo-1H-benzimidazole-1,3(2H)-diyl)dipropanoic acid
0.015
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-[[4-(carboxymethyl)benzyl]sulfanyl]-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-5-carboxylic acid
0.016
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 5-(((tetrahydrofuran-2-yl)methylthio)methyl)-2-methylfuran-3-carboxylic acid
0.016
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2,2'-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)diacetic acid
0.017
-
small-molecule inhibitor containing 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3,3'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)dipropanoic acid
0.019
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 2,2'-[(6-phenylpyrimidine-2,4-diyl)disulfanediyl]diacetic acid
0.02
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-(2-carboxyethyl)-4-hydroxyquinoline-6-carboxylic acid
0.02
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-([[(3-carboxy-5-methylfuran-2-yl)methyl]sulfanyl]methyl)-5-methylfuran-2-carboxylic acid
0.02
-
small-molecule inhibitor containing 3 H-bond acceptors and 1 negative ionizable feature, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid
0.022
-
small-molecule inhibitor containing 1 hydrophobic feature, 1 H-bond acceptor and 2 negative ionizable features, preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 4-[[(2-carboxypropyl)sulfanyl]methyl]-5-methylfuran-2-carboxylic acid
0.027
-
preincubation at a final concentration of 0.05 nM with the inhibitor in buffer (50mM NaCl, 1 mM HEPES, pH 7.5, 50 microM EDTA, 50 microM DTT, 10% glycerol, 7.5 mM MnCl2, 0.1 mg/ml bovine serum albumin, 10 mM 2-mercaptoethanol, 10% DMSO and 25 mM MOPS, pH 7.2) at 30°C for 10 min. 200 nM of the 5'-end 32P-labeled linear oligonucleotide substrate is added Homo sapiens 3-((pyridin-2-ylthio)methyl)benzofuran-2-carboxylic acid