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Inosine-5'-monophosphate dehydrogenase 1 Inhibitors (IC50, Ki)

Structure
Compound Name
Standard Type
Standard Values (in nM)
Mycophenolic acidIC5019.0 [1], 20.0 [2], 32.0 [3], 55.0 [4], 260.0 [5]
Mycophenolic acidKi40.0 [1]
C2-Mycophenolic adenine dinucleotideKi330.0 [1]
[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S,5S)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi110.0 [1], 470.0 [2], 710.0 [3]
[(2R,3S,4R,5R)-5-(6-Amino-2-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]methyl]phosphinic acidKi16.0 [1], 20.0 [2]
Tiazofurin adenine dinucleotideKi100.0 [1], 110.0 [2]
[(2R,3S,4R,5R)-5-(6-Amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]methyl]phosphinic acidKi66.0 [1], 70.0 [2]
Mycophenolic hydroxamic acidIC50350.0 [1]
Mycophenolic hydroxamic acidKi70.0 [1]
[(2S,3R,4S,5S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]phosphoryl]methyl]phosphinic acidKi520.0 [1]
Selenazole-4-carboxyamide-adenine dinucleotideKi33.0 [1], 62.0 [2]
[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoylselenophen-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi260.0 [1], 580.0 [2]
[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoylthiophen-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi340.0 [1], 370.0 [2]
[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoylfuran-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi37970.0 [1], 135120.0 [2]
AdenosineKi100000.0 [1]
1,1-Dioxido-1-benzothien-3-yl 5-phenyl-1,3,4-oxadiazol-2-yl sulfideIC505600.0 [1]
1-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-m-tolyl-ureaIC5055.0 [1]
[(2S,3R,4S,5S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl]phosphinic acidKi110.0 [1]
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]phosphoryl]methyl]phosphinic acidKi520.0 [1]
[(2S,3R,4S,5S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphinic acidKi300.0 [1]
O-Desmethyl Mycophenolic AcidIC50150.0 [1]
Methyl mycophenolateIC501500.0 [1]
7-Hydroxy-6-[(E)-6-hydroxy-3-methylhex-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-oneIC50770.0 [1]
7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-oneIC5099.0 [1]
3-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxideIC5011100.0 [1]
3-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxideIC5030000.0 [1]
(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)hex-4-enoic acidIC501800.0 [1]
6-(4-Acetoxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acidIC504100.0 [1]
[[(2R,3S,4R,5R)-5-(6-Amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi19.0 [1]
[[(2R,3S,4R,5R)-5-(6-Amino-2-ethynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi10.0 [1]
[[(2R,3S,4R,5R)-5-(6-Amino-2-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi1.0 [1]
N1-Hydroxy-N8-(3-methoxy-4-(oxazol-5-yl)phenyl)octanediamideKi5000.0 [1]
N'-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamideKi350.0 [1]
2-[(1,1-Dioxido-1-benzothiophen-3-yl)sulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazoleIC5020300.0 [1]
7-Hydroxy-6-(2-hydroxyethyl)-5-methoxy-4-methylisobenzofuran-1(3H)-oneKi15400.0 [1]
3-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxideIC508600.0 [1]
(4E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acidIC5067000.0 [1]
N'-[[(2R,3S,4R,5R)-5-(6-Amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamideKi660.0 [1]
N'-[[(2R,3S,4R,5R)-5-(6-Amino-2-ethynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamideKi520.0 [1]
N'-[[(2R,3S,4R,5R)-5-(6-Amino-2-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamideKi820.0 [1]
6-[(E)-4-[4-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]triazol-1-yl]-3-methylbut-2-enyl]-7-hydroxy-5-methoxy-4-methyl-3H-2-benzofuran-1-oneKi70.0 [1]
Methyl 2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]acetateKi522.0 [1]
N-(4-Methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamideIC5050000.0 [1]
Methyl (2S)-2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-methylbutanoateKi3771.0 [1]
(2S)-2-[[(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-methylbutanoic acidKi132.0 [1]
Methyl (2R)-2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-methylbutanoateKi7723.0 [1]
(2R)-2-[[(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-methylbutanoic acidKi2035.0 [1]
Methyl (2R)-2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-phenylpropanoateKi5556.0 [1]
2-[[(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]acetic acidKi892.0 [1]
Methyl (2S)-2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-phenylpropanoateKi4362.0 [1]
(2R)-2-[[(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-phenylpropanoic acidKi4308.0 [1]
(2S)-2-[[(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]-3-phenylpropanoic acidKi854.0 [1]
7-Methoxy-2-(4-methoxy-phenyl)-6-oxazol-5-yl-1H-quinolin-4-oneIC5090.0 [1]
[Hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]methylphosphonic acidKi890.0 [1]
[Hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]methyl-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphinic acidKi2300.0 [1]
N-[3-Methoxy-4-(1,3-oxazol-5-yl)phenyl]-1H-indole-2-carboxamideIC501000.0 [1]
3-[[5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxideIC5010100.0 [1]
3-[(5-Pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxideIC5013200.0 [1]
3-[[5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxideIC504300.0 [1]
Methyl 4-[5-[(1,1-dioxo-1-benzothiophen-3-yl)sulfanyl]-1,3,4-oxadiazol-2-yl]benzoateIC5030000.0 [1]
N-[4-[5-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamideIC5020400.0 [1]
3-[(5-Cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxideIC507600.0 [1]
4-[5-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]-1,3,4-oxadiazol-2-yl]anilineIC5013800.0 [1]
3-[[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxideIC507200.0 [1]
3-[2,2-Difluoro-3-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]-1-methylcyclopropyl]propanoic acidIC502600.0 [1]
3-[2,2-Dibromo-3-[(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]-1-methylcyclopropyl]propanoic acidIC503100.0 [1]
1-Cyclopropane Mycophenolic AcidIC501100.0 [1]
5-[[(2-Carboxyethyl)thio]methyl]-1,3-dihydro-4-hydroxy-6-methoxy-7-methylisobenzofuran-3-oneIC5010900.0 [1]
4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-ylmethylsulfanyl)-butyric acidIC5022700.0 [1]
5-(5-Carboxy-2-pentyn-1-yl)-1,3-dihydro-4-hydroxy-6-methoxy-7-methylisobenzofuran-3-oneIC502600.0 [1]
5-(6-Carboxy-2-hexyn-1-yl)-1,3-dihydro-4-hydroxy-6-methoxy-7-methylisobenzofuran-3-oneIC502500.0 [1]
CID 15625192IC501200.0 [1]
5-(5-Carboxypentyl)-1,3-dihydro-4-hydroxy-6-methoxy-7-methylisobenzofuran-3-oneIC50940.0 [1]
5-(6-Carboxyhexyl)-1,3-dihydro-4-hydroxy-6-methoxy-7-methylisobenzofuran-3-oneIC501800.0 [1]
2-[[(E)-4-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]ethylphosphonic acidIC5037.0 [1]
[(2S,3R,4S,5S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]oxymethyl]phosphinic acidKi20.0 [1]
3-{5-[(1,1-Dioxido-1-benzothiophen-3-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridineIC506300.0 [1]
2-[(1,1-Dioxido-1-benzothiophen-3-yl)sulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazoleIC509900.0 [1]
2-[(2R,3R,4S,5R)-5-[[[(2S,3R,4S,5S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoylmethylsulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamideKi23600.0 [1]
[[(2R,3S,4R,5R)-5-[6-Amino-2-(2-phenylethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi73.0 [1]
[[(2R,3S,4R,5R)-5-(6-Amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi20.0 [1]
[[(2R,3S,4R,5R)-5-(4-Carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi7.0 [1]
[[(2R,3S,4R,5R)-5-(6-Amino-2-anilinopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi45.0 [1]
[[(2R,3S,4R,5R)-5-[6-Amino-2-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi45.0 [1]
[[(2R,3S,4R,5R)-5-(6-Amino-2-ethenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateKi96.0 [1]
N-Hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhexanamideKi2070.0 [1]
(E)-N-Hydroxy-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-5-methylhept-5-enamideKi400.0 [1]
(E)-N-(2-Aminophenyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enamideKi2830.0 [1]
(E)-N-Hydroxy-3-[4-[[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]methyl]phenyl]prop-2-enamideKi7800.0 [1]
(E)-3-[4-[[(4-Cyano-3-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-hydroxyprop-2-enamideKi100000.0 [1]
(E)-N-Hydroxy-3-[3-[[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]methyl]phenyl]prop-2-enamideKi2300.0 [1]
(E)-3-[3-[[(4-Cyano-3-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-hydroxyprop-2-enamideKi44000.0 [1]
6-(4-Methoxy-3-(oxazol-5-yl)phenyl)-4-methylhex-4-enoic acidKi20800.0 [1]
6-(2,4-Dimethoxy-5-(oxazol-5-yl)phenyl)-4-methylhex-4-enoic acidKi16000.0 [1]
7-Methoxy-6-oxazol-5-yl-2-m-tolyl-1H-quinolin-4-oneIC50150.0 [1]
2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H-quinolin-4-oneIC5083.0 [1]
[(E)-4-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]phosphonic acidIC5071.0 [1]
[[(3R,4S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphinic acidKi87.0 [1]
[(3R,4S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]oxymethyl]phosphinic acidKi20.0 [1]
2-[[(2S,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoylmethylsulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,3-thiazole-4-carboxamideIC5023600.0 [1]



References

This online tool may be cited as follows

MLA

"Quest Database™ Inosine-5'-monophosphate dehydrogenase 1 Inhibitors (IC50, Ki)." AAT Bioquest, Inc.21 Dec2024https://www.aatbio.com/data-sets/inosine-5-monophosphate-dehydrogenase-1-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024December 21). Quest Database™ Inosine-5'-monophosphate dehydrogenase 1 Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/inosine-5-monophosphate-dehydrogenase-1-inhibitors-ic50-ki.
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