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Aldehyde dehydrogenase 1A1 Inhibitors (IC50, Ki)

Structure
Compound Name
Standard Type
Standard Values (in nM)
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC5019.6 [1]
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileKi5.5 [1], 26.1 [2]
1-[4-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileIC5077.0 [1]
1-[4-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileKi7.2 [1], 23.3 [2]
4-(Diethylamino)benzaldehydeIC5057.0 [1], 520.0 [2], 1700.0 [3], 3400.0 [4]
Ethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetateIC504600.0 [1], 6890.0 [2], 57000.0 [3]
Ethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetateKi230.0 [1]
7-Diethylamino-4-methylcoumarinIC50760.0 [1]
7-Diethylamino-4-methylcoumarinKi870.0 [1], 1200.0 [2]
1-Benzyl-1H-indole-2,3-dioneIC5010.0 [1], 20.0 [2], 4870.0 [3]
8-[6-Methoxy-3-(4-methoxybenzenesulfonyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decaneIC5017.0 [1], 50.0 [2], 3430.0 [3]
6-[(3-Fluorobenzyl)thio]-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneIC50900.0 [1]
6-[(3-Fluorobenzyl)thio]-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneKi380.0 [1]
8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dioneIC50800.0 [1]
8-[[4-(Furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dioneKi720.0 [1], 800.0 [2]
7-Bromo-5-methyl-1H-indole-2,3-dioneIC50720.0 [1]
7-Bromo-5-methyl-1H-indole-2,3-dioneKi290.0 [1], 900.0 [2]
2-[(2-Butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamideIC50119.0 [1], 390.0 [2], 1010.0 [3]
2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanateIC501000.0 [1], 3100.0 [2]
1-[[1,3-Dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]methyl]piperidine-4-carboxamideIC502000.0 [1]
1-[[1,3-Dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]methyl]piperidine-4-carboxamideKi240.0 [1]
8-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dioneIC5041.0 [1], 6790.0 [2]
2,3,5-Trimethyl-6-[3-Oxo-3-(Piperidin-1-Yl)propyl]-7h-Furo[3,2-G][1]benzopyran-7-OneIC50130.0 [1]
2,3,5-Trimethyl-6-[3-Oxo-3-(Piperidin-1-Yl)propyl]-7h-Furo[3,2-G][1]benzopyran-7-OneKi170.0 [1]
Cyclopropyl-[4-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]methyl]piperazin-1-yl]methanoneIC5028.0 [1], 12400.0 [2]
[4-[6-Chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC5013.0 [1], 1970.0 [2]
1-[1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidin-4-yl]ethanoneIC5011.0 [1], 106.0 [2]
1-[4-[6-Chloro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileIC507.0 [1], 53.0 [2]
[4-[4-(6-Azaspiro[2.5]octan-6-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC5067.0 [1], 4040.0 [2]
4-[4-[4-(1-Cyanocyclopropyl)phenyl]-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamideIC506.0 [1], 31.0 [2]
1-[4-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]phenyl]cyclopropane-1-carbonitrileIC506.0 [1], 47.0 [2]
4-Methyl-1-[6-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carbonitrileIC5032.0 [1], 1210.0 [2]
1-[6-Fluoro-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]quinolin-4-yl]-4-methylpiperidine-4-carbonitrileIC5027.0 [1], 1480.0 [2]
2-[3-Fluoro-4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]-2-methylpropanenitrileIC509.0 [1], 96.0 [2]
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrileIC5015.0 [1], 153.0 [2]
1-[4-[7-Methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileIC505.0 [1], 74.0 [2]
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-(2-fluorophenyl)piperidine-4-carbonitrileIC507.0 [1], 32.0 [2]
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-(4-fluorophenyl)piperidine-4-carbonitrileIC5011.0 [1], 87.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5050.0 [1], 2460.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5035.0 [1], 2220.0 [2]
2-[4-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]phenyl]-2-methylpropanenitrileIC506.0 [1], 32.0 [2]
1'-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]spiro[1H-indene-3,4'-piperidine]-2-oneIC5018.0 [1], 472.0 [2]
4-[4-(4-Cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamideIC5024.0 [1], 1450.0 [2]
1-[3-Fluoro-4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileIC5016.0 [1], 486.0 [2]
1-[6-Fluoro-3-[(3R)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]quinolin-4-yl]-4-methylpiperidine-4-carbonitrileIC50388.0 [1], 5380.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5023.0 [1], 2880.0 [2]
[4-[4-(2-Azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC5035.0 [1], 5610.0 [2]
4-Benzyl-1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrileIC50574.0 [1], 4510.0 [2]
1-[4-[6-Methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrileIC507.0 [1], 42.0 [2]
1-[3-(4-Cyclopropylsulfonylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrileIC50371.0 [1], 6340.0 [2]
1-[6,7-Difluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC5012.0 [1], 22.0 [2]
[4-[4-(4-Tert-butylphenyl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC5014.0 [1], 39.0 [2]
1'-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]spiro[2H-indene-3,4'-piperidine]-1-oneIC5061.0 [1], 4680.0 [2]
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbaldehydeIC5010.0 [1], 94.0 [2]
1-[6-Chloro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC5015.0 [1], 48.0 [2]
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-(cyclopropylmethyl)piperidine-4-carbonitrileIC5013.0 [1], 572.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5019.0 [1], 4090.0 [2]
2-[4-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]-2-methylpropanenitrileIC509.0 [1], 24.0 [2]
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrileIC504830.0 [1], 57000.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5019.0 [1], 2420.0 [2]
Cyclopropyl-[4-[4-(4,4-dimethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5046.0 [1], 2570.0 [2]
1-[4-[6-(4-Methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrileIC5020.0 [1], 507.0 [2]
1-[6-Chloro-3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC5014.0 [1], 65.0 [2]
[4-(4-Ethenylsulfonylpiperazin-1-yl)-6-fluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanoneIC5038.0 [1], 1590.0 [2]
[4-[4-(2-Azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC50113.0 [1], 11800.0 [2]
1-[6-(4-Methylsulfonylpiperazine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrileIC5010.0 [1], 22.0 [2]
4-Methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)thieno[2,3-b]pyridin-4-yl]piperidine-4-carbonitrileIC5060.0 [1], 2950.0 [2]
Cyclopropyl-[4-[4-(4,4-diethylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5086.0 [1], 4570.0 [2]
[4-(4,4-Dimethylcyclohexen-1-yl)-6-fluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanoneIC5021.0 [1], 873.0 [2]
1-[3-(3,3-Dimethyl-4-methylsulfonylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrileIC504490.0 [1], 57000.0 [2]
[4-[4-(Azepan-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC50194.0 [1], 11600.0 [2]
Cyclopropyl-[4-[6-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]methanoneIC5043.0 [1], 3550.0 [2]
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]piperidine-4-carbonitrileIC5023380.0 [1], 57000.0 [2]
4-Methyl-1-[1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carbonitrileIC5087.0 [1], 5230.0 [2]
Cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC502330.0 [1], 57000.0 [2]
Cyclopropyl-[4-[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5013.0 [1], 112.0 [2]
4-[4-(4-Cyano-4-phenylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamideIC5014.0 [1], 40.0 [2]
4-Methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrileIC50193.0 [1], 5440.0 [2]
1-[7-Methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC5014.0 [1], 45.0 [2]
[6-Fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanoneIC50199.0 [1], 7420.0 [2]
1-[4-[6-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrileIC5017.0 [1], 319.0 [2]
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-methoxyquinolin-4-yl]piperidin-4-oneIC5026410.0 [1], 57000.0 [2]
4-[4-[4-(1-Cyanocyclopropyl)phenyl]-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamideIC508.0 [1], 54.0 [2]
1-[6-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrileIC5012.0 [1], 71.0 [2]
4-Methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carbonitrileIC50251.0 [1], 15600.0 [2]
1-[6-Fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrileIC5094.0 [1], 5080.0 [2]
Cyclopropyl-[4-[6-fluoro-4-(4-fluoropiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanoneIC501900.0 [1], 57000.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5022.0 [1], 3930.0 [2]
[6-Fluoro-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]quinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanoneIC5080.0 [1], 4110.0 [2]
[4-[4-(4-Benzylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanoneIC502510.0 [1], 17300.0 [2]
1-[4-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]piperazin-1-yl]ethanoneIC5057000.0 [1]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5021.0 [1], 2430.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylquinoline-3-carbonyl]piperazin-1-yl]methanoneIC5035.0 [1], 2270.0 [2]
1-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC508.0 [1], 63.0 [2]
Cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]methanoneIC5068.0 [1], 9760.0 [2]
1-[3-[4-(Cyclopropanecarbonyl)piperidine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrileIC5089.0 [1], 1570.0 [2]
1-[5-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[2,3-b]pyridin-4-yl]-4-methylpiperidine-4-carbonitrileIC5064.0 [1], 2450.0 [2]
Cyclopropyl-[4-[6-fluoro-4-(4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanoneIC50597.0 [1], 13600.0 [2]
4-[4-(4-Cyano-4-phenylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamideIC506.0 [1], 40.0 [2]
1-[6-Methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrileIC5012.0 [1], 32.0 [2]



References

This online tool may be cited as follows

MLA

"Quest Database™ Aldehyde dehydrogenase 1A1 Inhibitors (IC50, Ki)." AAT Bioquest, Inc.21 Dec2024https://www.aatbio.com/data-sets/aldehyde-dehydrogenase-1a1-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024December 21). Quest Database™ Aldehyde dehydrogenase 1A1 Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/aldehyde-dehydrogenase-1a1-inhibitors-ic50-ki.
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