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Thymidylate synthase Inhibitors (IC50, Ki)

Structure
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Compound Name
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Standard Type
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Standard Values (in nM)
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▼
PemetrexedIC509500.0 [1]
PemetrexedKi1.3 [1], 340.0 [2]
RaltitrexedIC50380.0 [1]
10-Propargyl-5,8-dideazafolic acidIC5072.0 [1]
10-Propargyl-5,8-dideazafolic acidKi7.0 [1], 30.0 [2], 20000.0 [3]
L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-IC5060.0 [1]
L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-Ki4.5 [1], 12.0 [2]
MethotrexateIC5029000.0 [1]
MethotrexateKi600.0 [1]
2-Amino-5-(4-nitrophenylthio)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-oneIC50150.0 [1]
2-Amino-5-(3,4-dichlorophenylthio)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-oneIC50150.0 [1]
2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetic acidIC5063000.0 [1], 65000.0 [2], 68000.0 [3], 300000.0 [4]
2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetic acidKi60000.0 [1], 78000.0 [2]
(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidIC5057000.0 [1], 67000.0 [2], 75000.0 [3], 300000.0 [4], 500000.0 [5]
(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidKi26000.0 [1]
N-[4-[2-(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acidIC50200000.0 [1], 220000.0 [2]
(2S)-2-[[4-[(2-Amino-6-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoyl]amino]pentanedioic acidIC5042.0 [1], 54.0 [2]
(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidIC5068000.0 [1], 152000.0 [2], 300000.0 [3]
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-Amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acidIC5030000.0 [1], 45000.0 [2], 52000.0 [3], 300000.0 [4]
(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acidIC5075000.0 [1], 80000.0 [2], 88000.0 [3], 188000.0 [4], 300000.0 [5]
(4S)-4-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acidIC5040000.0 [1], 57000.0 [2], 62000.0 [3], 300000.0 [4]
(2S)-5-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acidIC5050000.0 [1], 53000.0 [2], 88000.0 [3], 300000.0 [4]
DpmabgIC50200000.0 [1]
2-[[4-[(2-Methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acidIC509.8 [1], 10.0 [2], 60.0 [3]
2-[[4-[(2-Methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acidKi8.5 [1]
6-{[(4-Benzenesulfonyl-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-oneKi13.0 [1], 21.0 [2], 27.0 [3], 68.0 [4]
2-Amino-5-(4-pyridylthio)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4(3H)-oneIC50340.0 [1], 29000.0 [2]
(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acidIC5056000.0 [1], 71000.0 [2], 81000.0 [3], 300000.0 [4]
2-Amino-5-(4-chlorophenylthio)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-oneIC501000.0 [1], 5300.0 [2], 30000.0 [3], 40000.0 [4]
2-[[4-[[2-Amino-5-[[1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-4-oxo-3,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acidIC50200.0 [1], 390.0 [2]
2-[[4-[[2-Amino-5-[[1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-4-oxo-3,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acidKi27.0 [1], 85.0 [2]
2-[[4-[2-[(2-Amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)-[[1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]amino]ethyl-methylamino]benzoyl]amino]pentanedioic acidIC50350.0 [1], 1000.0 [2]
2-[[4-[2-[(2-Amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)-[[1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]amino]ethyl-methylamino]benzoyl]amino]pentanedioic acidKi37.0 [1], 230.0 [2]
Folate Analog 1843u89IC5032.0 [1]
Folate Analog 1843u89Ki0.09 [1]
Furo[2,3d]pyrimidine antifolateIC50200000.0 [1]
6-[[4-(Benzenesulfonyl)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-2-methyl-3H-quinazolin-4-oneKi40.0 [1], 50.0 [2], 84.0 [3]
3-Amino-9-bromobenzo[f]quinazolin-1(2H)-oneIC5022.0 [1], 158.0 [2], 322.0 [3]
3-Amino-5,6-dihydro-2H-benzo[f]quinazolin-1-oneIC509820.0 [1], 127000.0 [2]
3-Amino-5,6-dihydro-2H-benzo[f]quinazolin-1-oneKi7000.0 [1]
2-Amino-5-phenylthio-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-oneIC5030000.0 [1], 60000.0 [2]
2-Amino-5-(3,4-dimethoxyphenylthio)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-oneIC502400.0 [1], 21000.0 [2], 24000.0 [3]
3-Aminobenzo[f]quinazolin-1-olIC501080.0 [1], 5000.0 [2], 20000.0 [3]
Benzo[f]quinazolin-1(2H)-one, 3-amino-9-chloro-5,6-dihydro-IC50343.0 [1], 660.0 [2], 1920.0 [3]
Benzo[f]quinazolin-1(2H)-one, 3-amino-5,6-dihydro-9-iodo-IC50102.0 [1], 4000.0 [2], 13000.0 [3]
Benzo[f]quinazolin-1(2H)-one, 3-amino-9-fluoro-5,6-dihydro-IC501300.0 [1], 3000.0 [2], 73000.0 [3]
Benzo[f]quinazolin-1(2H)-one, 3-amino-9-chloro-IC5025.0 [1], 120.0 [2], 1000.0 [3]
3-Amino-9-methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-oneIC50720.0 [1], 2600.0 [2], 36400.0 [3]
2-[(2Z)-2-[(E)-(2-Hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamideIC5090000.0 [1]
2-[(2Z)-2-[(E)-(2-Hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamideKi1300.0 [1], 2500.0 [2]
Folic acidIC50290000.0 [1]
Folic acidKi40000.0 [1]
NolatrexedKi15.0 [1], 16.0 [2]
2-Desamino-2-methyl-10-propagyl-5,8-dideazofolic acidIC5039.81 [1], 40.0 [2]
MetesindKi2.0 [1], 15.0 [2]
3'-3"-Dichlorophenol-1,8-3H-benzo[DE]isochromen-1-oneKi30000.0 [1]
(2S)-2-[[4-[(2,4-Diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]benzoyl]amino]pentanedioic acidIC50540.0 [1]
(4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-amineKi31.0 [1], 34.0 [2]
5-(4-Methylphenyl)sulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamineIC50390.0 [1]
n-[4-[2-(2-Amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acidIC501000.0 [1]
(2S)-2-[[4-[3-(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acidIC5018000.0 [1]
6-{[(4-Benzenesulfinyl-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-oneKi110.0 [1], 550.0 [2]
3-Methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-oneIC5035600.0 [1]
3-Methyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-oneKi35600.0 [1]
Benzo[f]quinazolin-1(2H)-one, 3-amino-7-bromo-5,6-dihydro-IC50154000.0 [1], 510000.0 [2]
3-Methyl-2H-benzo[f]quinazolin-1-oneIC505400.0 [1]
3-Methyl-2H-benzo[f]quinazolin-1-oneKi5400.0 [1]
(2S)-2-[[4-[(3-Methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)sulfonylamino]benzoyl]amino]pentanedioic acidKi5.5 [1]
2-Amino-5,6,7,8-tetrahydro-5-[4-(phenylsulfonyl)benzyl]-3H-imidazo[4,5-g]quinolineKi13.1 [1], 31.0 [2]
5,6,7,8-Tetrahydro-5-[4-(1-piperazinylsulfonyl)benzyl]-1H-imidazo[4,5-g]quinolineKi7700.0 [1]
1,3-Propylenediphosphonic AcidKi260.0 [1], 2700.0 [2]
2-Amino-5,6,7,8-tetrahydro-5-[4-(1-piperazinylsulfonyl)benzyl]-3H-imidazo[4,5-g]quinolineKi64.0 [1]
2,6-Dimethyl-5-[[2-methyl-4-pyridinyl]thio]quinazolin-4(3H)-oneKi39.0 [1], 66.0 [2]
6-Hydroxy-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-oneKi8800.0 [1], 19000.0 [2]
2,6-Dimethyl-5-[[2-(dimethylamino)-4-pyridinyl]thio]quinazolin-4(3H)-oneKi58.0 [1], 80.0 [2]
2-Methyl-5-[(2-pyridinyl)thio]quinazolin-4(3H)-oneKi120000.0 [1], 190000.0 [2]
2,6-Dimethyl-5-[[2-methoxy-4-pyridinyl]thio]quinazolin-4(3H)-oneKi37.0 [1], 46.0 [2]
2,6-Dimethyl-5-[[4-pyridazinyl]thio]quinazolin-4(3H)-oneKi87.0 [1], 120.0 [2]
2,6-Dimethyl-5-[[4-pyridinyl]thio]quinazolin-4(3H)-oneKi58.0 [1], 93.0 [2]
4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-ylsulfanyl)-benzoic acidKi65.0 [1], 141.0 [2]
2-Amino-6-methyl-5-[[2-(dimethylamino)-4-pyridinyl]thio]quinazolin-4(3H)-oneKi32.0 [1], 50.0 [2]
2,6-Dimethyl-5-(2-trifluoromethyl-pyridin-4-ylsulfanyl)-3H-quinazolin-4-oneKi70.0 [1], 130.0 [2]
2,6-Dimethyl-5-[[3-pyridinyl]thio]quinazolin-4(3H)-oneKi310.0 [1], 1100.0 [2]
2,6-Dimethyl-5-[[4-nitrophenyl]thio]quinazolin-4(3H)-oneKi56.0 [1], 78.0 [2]
6-({[4-(2-Chloro-benzenesulfonyl)-phenyl]-prop-2-ynyl-amino}-methyl)-2-methyl-3H-quinazolin-4-oneKi25.0 [1], 69.0 [2]
2-Methyl-5-[(4-pyridinyl)thio]quinazolin-4(3H)-oneKi960.0 [1], 2100.0 [2]
2-Amino-6-methyl-5-[[4-pyridazinyl]thio]quinazolin-4(3H)-oneKi11.0 [1], 13.0 [2]
6-Ethyl-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-oneKi200.0 [1], 590.0 [2]
2-Amino-6-chloro-5-[[4-pyridinyl]thio]quinazolin-4(3H)-oneKi18.0 [1], 20.0 [2]
2-Amino-6-methyl-5-(2-trifluoromethyl-pyridin-4-ylsulfanyl)-3H-quinazolin-4-oneKi24.0 [1], 28.0 [2]
2,6-Dimethyl-5-[[4-(phenylsulfonyl)phenyl]thio]quinazolin-4(3H)-oneKi76.0 [1], 120.0 [2]
6-Methoxy-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-oneKi260.0 [1], 640.0 [2]
6-{[(4-Benzenesulfinyl-3-chloro-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-oneKi37.0 [1], 130.0 [2]
(2S)-2-[[4-[(2-Amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acidIC504600.0 [1], 5800.0 [2]
3-Amino-9-ethynylbenzo[f]quinazolin-1(2h)-oneIC50600.0 [1], 50700.0 [2]
3-Amino-9-vinylbenzo[f]quinazolin-1(2H)-oneIC50120.0 [1], 85000.0 [2]
3-Amino-9-ethynyl-5,6-dihydrobenzo[f]quinazolin-1(2H)-oneIC503000.0 [1], 97000.0 [2]
3-Amino-8,9-dichloro-5,6-dihydrobenzo(f)quinazolin-1(2h)-oneIC502960.0 [1], 6500.0 [2]
3-Methylamino-5,6-dihydrobenzo[f]quinazolin-1(2H)-oneIC500.0 [1], 98400.0 [2]
3-Amino-9-methoxy-5,6-dihydrobenzo[f]quinazolin-1(2h)-oneIC503600.0 [1], 7000.0 [2]
Items per page: 1 - 10 of 100
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References

This online tool may be cited as follows

MLA

"Quest Database™ Thymidylate synthase Inhibitors (IC50, Ki)." AAT Bioquest, Inc., 22 Feb. 2025, https://www.aatbio.com/data-sets/thymidylate-synthase-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2025, February 22). Quest Database™ Thymidylate synthase Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/thymidylate-synthase-inhibitors-ic50-ki.
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