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Glucose-6-phosphate 1-dehydrogenase 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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DehydroepiandrosteroneIC5011300.0 [1], 24900.0 [2]
DehydroepiandrosteroneKi6200.0 [1], 8900.0 [2]
EpiandrosteroneIC509400.0 [1]
EpiandrosteroneKi3000.0 [1], 3400.0 [2]
(2Z)-N-[[(2R)-1-Ethylpyrrolidin-2-yl]methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
2-Hydroxy-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneIC50900.0 [1], 12300.0 [2]
1-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-ethylureaIC501000.0 [1], 9500.0 [2]
Methyl N-[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]carbamateIC501500.0 [1], 7800.0 [2]
(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-3-(sulfamoylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthreneIC501200.0 [1], 17400.0 [2]
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]methanesulfonamideIC503400.0 [1], 4800.0 [2]
(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-3-(sulfamoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthreneIC502000.0 [1], 9200.0 [2]
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]methanesulfonamideIC503800.0 [1], 35200.0 [2]
(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyacetyl)-10,13-dimethyl-3-(sulfamoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthreneIC501200.0 [1], 14100.0 [2]
PregnenoloneIC5081400.0 [1]
AndrosteroneIC50200000.0 [1]
AllopregnanoloneIC5066000.0 [1]
3beta-Hydroxy-5alpha-pregnan-20-oneIC504300.0 [1]
TetrahydrodeoxycorticosteroneIC5031600.0 [1]
16alpha-HydroxydehydroepiandrosteroneIC5015800.0 [1]
16alpha-BromoepiandrosteroneIC5020800.0 [1]
5alpha-Androstan-17-oneIC50200000.0 [1]
21-HydroxypregnenoloneIC505300.0 [1]
1-[(1R,2S,4R,6S,7S,10S,11S,14S,16S)-14-Hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl]ethanoneIC50200000.0 [1]
(2Z)-2-Benzylidene-3-oxo-N-(3-pyrrolidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(3S,8R,9S,10R,13S,14S,16R)-16-Bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneIC5048000.0 [1]
N-[[(2R)-1-Ethylpyrrolidin-2-yl]methyl]-10-methyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamideIC5080000.0 [1]
3-beta-Hydroxy-5-alpha-pregnane-11,20-dioneIC5015800.0 [1]
(3S,8R,9S,10R,13S,14S,17S)-10,13-Dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-olIC50200000.0 [1]
(3S,5S,8R,9S,10S,13S,14S)-3-Amino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-oneIC50200000.0 [1]
Allopregnane-3beta,21-diol-11,20-dioneIC506300.0 [1]
(3S,5S,8R,9S,10S,13S,14S,17E)-17-Hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-olIC50200000.0 [1]
(2S,3S,4S,5R,6S)-2-(2-Aminoethylsulfanylmethyl)-6-methoxyoxane-3,4,5-triolKi2000000.0 [1]
2-[3-[[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl]methylsulfonyl]propyl]guanidineKi22300.0 [1]
3-[[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl]methylsulfonyl]propanenitrileKi200000.0 [1]
(2S,3S,4S,5R,6S)-2-(3-Aminopropylsulfanylmethyl)-6-methoxyoxane-3,4,5-triolKi129000.0 [1]
2-[2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl]methylsulfamoyl]ethyl]guanidineKi16800.0 [1]
(2S,3S,4S,5R,6S)-2-(3-Aminopropylsulfonylmethyl)-6-methoxyoxane-3,4,5-triolKi35400.0 [1]
2-Amino-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethanesulfonamideKi400000.0 [1]
3-[[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl]methylsulfanyl]propanenitrileKi200000.0 [1]
2-[2-[[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl]methylsulfanyl]ethyl]guanidineKi200000.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]acetamideIC50128000.0 [1]
(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-olIC50200000.0 [1]
Allopregnane-3beta,17alpha,21-triol-20-oneIC505200.0 [1]
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(Z)-N-Hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olIC50200000.0 [1]
(3S,5S,8S,9S,10S,13S,14S,17R)-17-Acetyl-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-oneIC5047000.0 [1]
(2Z)-2-Benzylidene-N-[2-(diethylamino)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-Benzylidene-N-[2-(dipropylamino)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-(naphthalen-1-ylmethylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[[(2S)-1-Ethylpyrrolidin-2-yl]methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-Benzylidene-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-[(2-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2-Fluorophenyl)methylidene]-3-oxo-N-(2-piperidin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2-Fluorophenyl)methylidene]-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2-Fluorophenyl)methylidene]-3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[2-(Dimethylamino)ethyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2-Fluorophenyl)methylidene]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[[2-(Dimethylamino)phenyl]methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-6-(3-Aminopyrrolidine-1-carbonyl)-2-[(2-fluorophenyl)methylidene]-4H-1,4-benzothiazin-3-oneIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-(naphthalen-2-ylmethylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-[(4-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-[(3-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2-Fluorophenyl)methylidene]-3-oxo-N-(pyrrolidin-2-ylmethyl)-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2-Fluorophenyl)methylidene]-3-oxo-N-[(1-propylpyrrolidin-2-yl)methyl]-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
CID 53481937IC5080000.0 [1]
(2Z)-2-[(2,6-Difluorophenyl)methylidene]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(2,3-Difluorophenyl)methylidene]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
Tert-butyl 2-[[[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylateIC5080000.0 [1]
(2Z)-N-[2-(Diethylamino)ethyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
1-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-2-oneIC50200000.0 [1]
(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-Dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3-olIC50200000.0 [1]
1-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-Hydroxy-17-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanoneIC50200000.0 [1]
[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]ureaIC505000.0 [1]
1-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-methylureaIC5012200.0 [1]
1-Butyl-3-[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]ureaIC501700.0 [1]
3-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-1,1-dimethylureaIC50200000.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]methanesulfonamideIC506600.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]ethanesulfonamideIC5070500.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]benzenesulfonamideIC509900.0 [1]
1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-Amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneIC50200000.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamideIC50200000.0 [1]
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ureaIC50100000.0 [1]
3-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1,1-dimethylureaIC50200000.0 [1]
Methyl N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]carbamateIC50200000.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanesulfonamideIC5011000.0 [1]
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzenesulfonamideIC5020300.0 [1]
(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-3-(dimethylsulfamoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthreneIC5037800.0 [1]
1-[(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-ethylureaIC50200000.0 [1]
N-[(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]methanesulfonamideIC50200000.0 [1]
(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-3-(sulfamoylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthreneIC50200000.0 [1]
1-Ethyl-3-[(5S,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ureaIC5034900.0 [1]
Methyl N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]carbamateIC5041600.0 [1]
(2Z)-N-Benzyl-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
[2-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateIC50200000.0 [1]
2-Chloro-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneIC509300.0 [1]
2-Bromo-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneIC502500.0 [1]
(3S,8R,9S,10R,13S,14S,17R)-10,13-Dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3-olIC50200000.0 [1]
(2Z)-N-[2-(Azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
(2Z)-2-[(4-Methoxyphenyl)methylidene]-3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamideIC5080000.0 [1]
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References

This online tool may be cited as follows

MLA

"Quest Database™ Glucose-6-phosphate 1-dehydrogenase Inhibitors (IC50, Ki)." AAT Bioquest, Inc., 21 Nov. 2024, https://www.aatbio.com/data-sets/glucose-6-phosphate-1-dehydrogenase-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024, November 21). Quest Database™ Glucose-6-phosphate 1-dehydrogenase Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/glucose-6-phosphate-1-dehydrogenase-inhibitors-ic50-ki.
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