BindingDB BDBM18137 AMP::CHEMBL752::US11185100, TABLE 7.3::[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;hydrate::adenosine 5 -monophosphate::{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

BDBM18137 AMP::CHEMBL752::US11185100, TABLE 7.3::[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;hydrate::adenosine 5 -monophosphate::{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=UDMBCSSLTHHNCD-KQYNXXCUSA-N

Data 11 KI 19 IC50 5 Kd 12 EC50 1 K_off 1 K_on

PDB links: 184 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 18137

Glycine--tRNA ligase(Bombyx mori)
Medical College of Ohio

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

Ki: 8.00E+4nM ΔG°: -5.59kcal/mole IC50: 8.00E+5nMpH: 7.5 T: 2°CAssay Description:Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.More data for this Ligand-Target Pair

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Fructose-1,6-bisphosphatase 1(Sus scrofa (Pig))
Boston College

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 1.30E+3nMAssay Description:Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluco...More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 800nMAssay Description:Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 3.20E+3nMAssay Description:Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coup...More data for this Ligand-Target Pair

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3D Structure (crystal)

Transient receptor potential cation channel subfamily M member 2(Homo sapiens (Human))
Peking University

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 7.00E+4nMAssay Description:Inhibition of human TRPM2 assessed as reduction in ADPR-induced channel currents by whole cell patch clamp electrophysiology methodMore data for this Ligand-Target Pair

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Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 2.30E+3nMAssay Description:Inhibition of human FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrop...More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 2.60E+3nMAssay Description:Inhibition of human liver FBP1 incubated for 5 mins by fluorescence methodMore data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 2.30E+3nMAssay Description:Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based a...More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 3.30E+3nMAssay Description:Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) using FBP as substrate in presence of PGI and G6PDH by spectrophotometric me...More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Sus scrofa (Pig))
Boston College

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 1.30E+3nMAssay Description:Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometryMore data for this Ligand-Target Pair

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3D Structure (crystal)

Proto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
TBA

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 100nMAssay Description:Inhibition of p60c-src expressed in chick embryo fibroblastMore data for this Ligand-Target Pair

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Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 3.20E+3nMAssay Description:Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 9.80E+3nMAssay Description:Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluc...More data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 140nMAssay Description:Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrateMore data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 440nMAssay Description:Inhibition of FBPase in human liverMore data for this Ligand-Target Pair

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3D Structure (crystal)

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 1.00E+3nMAssay Description:Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometryMore data for this Ligand-Target Pair

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3D Structure (crystal)

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair

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1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 1.32E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair

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Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)

IC50: 1.00E+3nMAssay Description:Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry methodMore data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 46 hits

Targets 24▿
- Fructose-1,6-bisphosphatase 1 14
- P2Y purinoceptor 1 4
- Gag-Pol polyprotein [489-587] 2
- P2Y purinoceptor 2 2
- 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 2
- Mitogen-activated protein kinase kinase kinase 7 2
- 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 2
- 2-dehydropantoate 2-reductase 2
- 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 1
- Transmembrane and immunoglobulin domain-containing 3 1
- 5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1 1
- Adenylate kinase 2, mitochondrial 1
- Transient receptor potential cation channel subfamily M member 2 1
- Adenylate kinase isoenzyme 1 1
- P2Y purinoceptor 11 1
- Taste receptor type 1 member 1/3 1
- Adenosine receptor A1 1
- Glycine--tRNA ligase 1
- Proto-oncogene tyrosine-protein kinase Src 1
- Inosine-5'-monophosphate dehydrogenase 1
- Cholecystokinin 1
- 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] 1
- Glycogen synthase kinase-3 beta 1
- Adenosine receptor A2a 1
Publications 30▿
- J Med Chem 45: 208-18 (2001) 7
- Eur J Med Chem 45: 1478-84 (2010) 2
- J Med Chem 25: 1179-84 (1983) 2
- Mol Pharmacol 45: 1101-11 (1994) 2
- J Med Chem 59: 8068-81 (2016) 2
- Eur J Med Chem 85: 418-37 (2014) 2
- J Med Chem 49: 4992-5000 (2006) 2
- Bioorg Med Chem Lett 27: 1031-1036 (2017) 2
- Bioorg Med Chem Lett 20: 594-9 (2010) 2
- J Med Chem 45: 5430-9 (2002) 2
- J Med Chem 55: 6467-77 (2012) 1
- Bioorg Med Chem Lett 11: 17-21 (2001) 1
- Bioorg Med Chem 22: 1850-62 (2014) 1
- Bioorg Med Chem Lett 30: (2020) 1
- PubChem Bioassay (2010) 1
- PubChem Bioassay (2014) 1
- Eur J Med Chem 203: (2020) 1
- Eur J Med Chem 152: 235-252 (2018) 1
- PubChem Bioassay (2014) 1
- J Nat Prod 83: 1541-1552 (2020) 1
- J Med Chem 24: 1155-61 (1982) 1
- J Med Chem 52: 2880-98 (2009) 1
- J Neurosci 4: 1021-33 (1984) 1
- Eur J Med Chem 90: 394-405 (2015) 1
- Biochemistry 42: 5333-40 (2003) 1
- Eur J Med Chem 184: (2019) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- Bioorg Med Chem 17: 3916-22 (2009) 1
- J Med Chem 63: 10307-10329 (2020) 1
- US Patent US11185100 (2021) 1
Institutions 23▿
- National Institute Of Diabetes 7
- TBA 4
- Boston College 3
- F. Hoffmann-La Roche 3
- Pfizer 3
- University Of Paris 2
- Chinese Academy Of Medical Sciences & Peking Union Medical College 2
- Uppsala University 2
- Chugai Pharmaceutical 2
- The Scripps Research Institute Molecular Screening Center 2
- University Chemical Laboratory 2
- National Institute of Diabetes, Digestive and Kidney Diseases 2
- Mars 1
- University Of North Carolina At Chapel Hill 1
- International Cooperation Base of Pesticide and Green Synthesis (Hubei) 1
- Peking University 1
- Medical College of Ohio 1
- Chinese Academy Of Medical Sciences And Peking Union Medical College 1
- Metabasis Therapeutics 1
- University Of Porto 1
- Broad Institute 1
- Nanjing University of Chinese Medicine 1
- East China University Of Science And Technology 1
Affinity: 0.23 to 6.3E+6 nM▿
- Ki 11
- IC50 19
- Kd 5
- EC50 12
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1