Literature summary for 1.1.1.205 extracted from

Felczak, K.; Chen, L.; Wilson, D.; Williams, J.; Vince, R.; Petrelli, R.; Jayaram, H.N.; Kusumanchi, P.; Kumar, M.; Pankiewicz, K.W.
Cofactor-type inhibitors of inosine monophosphate dehydrogenase via modular approach: Targeting the pyrophosphate binding sub-domain (2011), Bioorg. Med. Chem., 19, 1594-1605.

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Inhibitors

Inhibitors	Comment	Organism	Structure
14,16-dihydroxy-3,8-dimethyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione	inhibition of leukemia K562 cells proliferation, IC50 of 71.3 microM	Homo sapiens
2-ethyl-9-[5-O-[hydroxy(2-[hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]ethyl)phosphoryl]-beta-L-ribofuranosyl]-9H-purin-6-amine	inhibition of leukemia K562 cells proliferation, IC50 of 4.0 microM; inhibition of leukemia K562 cells proliferation, IC50 of 4.0 microM	Homo sapiens
9-(5-O-[hydroxy[([hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]oxy)methyl]phosphoryl]-beta-L-ribofuranosyl)-9H-purin-6-amine	inhibition of leukemia K562 cells proliferation, IC50 of 71.3 microM	Homo sapiens
mycophenolic 2-ethyladenosin-5'-yl-difluoromethylenebis(phosphonate)	potent, sub-micromolar inhibitor of leukemia K562 cells proliferation, IC50 of 0.45 microM; potent, sub-micromolar inhibitor of leukemia K562 cells proliferation, IC50 of 0.45 microM	Homo sapiens
mycophenolic 2-ethyladenosin-5'-yl-methylenebis(phosphonate)	inhibition of leukemia K562 cells proliferation, IC50 of 1.0 microM; inhibition of leukemia K562 cells proliferation, IC50 of 1.0 microM	Homo sapiens
Mycophenolic acid	inhibition of leukemia K562 cells proliferation, IC50 of 7.7 microM; inhibition of leukemia K562 cells proliferation, IC50 of 7.7 microM	Homo sapiens
thiazofurin-5'-yl-2-ethyladenosin-5'-yl-difluromethylene bis(phosphonate)	inhibition of leukemia K562 cells proliferation, IC50 of 4.7 microM; inhibition of leukemia K562 cells proliferation, IC50 of 4.7 microM	Homo sapiens
thiazole-4-carboxamide 2-ethyladenine dinucleotide	-	Homo sapiens
thiazole-4-carboxamide adenine dinucleotide	inhibition of leukemia K562 cells proliferation, IC50 of 3.7 microM; inhibition of leukemia K562 cells proliferation, IC50 of 3.7 microM	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P12268	isoform IMPDH 2	-
Homo sapiens	P20839	isoform IMPDH 1	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000001	-	pH 8.0, 25°C	Homo sapiens	thiazole-4-carboxamide 2-ethyladenine dinucleotide
0.000005	-	pH 8.0, 25°C	Homo sapiens	mycophenolic 2-ethyladenosin-5'-yl-difluoromethylenebis(phosphonate)
0.000007	-	pH 8.0, 25°C	Homo sapiens	Mycophenolic acid
0.000013	-	pH 8.0, 25°C	Homo sapiens	thiazofurin-5'-yl-2-ethyladenosin-5'-yl-difluromethylene bis(phosphonate)
0.000014	-	pH 8.0, 25°C	Homo sapiens	thiazole-4-carboxamide 2-ethyladenine dinucleotide
0.000016	-	pH 8.0, 25°C	Homo sapiens	mycophenolic 2-ethyladenosin-5'-yl-methylenebis(phosphonate)
0.00002	-	pH 8.0, 25°C	Homo sapiens	14,16-dihydroxy-3,8-dimethyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
0.000024	-	pH 8.0, 25°C	Homo sapiens	mycophenolic 2-ethyladenosin-5'-yl-difluoromethylenebis(phosphonate)
0.00003	-	pH 8.0, 25°C	Homo sapiens	thiazofurin-5'-yl-2-ethyladenosin-5'-yl-difluromethylene bis(phosphonate)
0.000033	-	pH 8.0, 25°C	Homo sapiens	Mycophenolic acid
0.000037	-	pH 8.0, 25°C	Homo sapiens	9-(5-O-[hydroxy[([hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]oxy)methyl]phosphoryl]-beta-L-ribofuranosyl)-9H-purin-6-amine
0.000038	-	pH 8.0, 25°C	Homo sapiens	mycophenolic 2-ethyladenosin-5'-yl-methylenebis(phosphonate)
0.000073	-	pH 8.0, 25°C	Homo sapiens	2-ethyl-9-[5-O-[hydroxy(2-[hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]ethyl)phosphoryl]-beta-L-ribofuranosyl]-9H-purin-6-amine
0.000099	-	pH 8.0, 25°C	Homo sapiens	2-ethyl-9-[5-O-[hydroxy(2-[hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl]ethyl)phosphoryl]-beta-L-ribofuranosyl]-9H-purin-6-amine
0.00011	-	pH 8.0, 25°C	Homo sapiens	thiazole-4-carboxamide adenine dinucleotide

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Release 2023.1 (January 2023)