BDBM28422 (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfanylium)butanoate::AdoMet::S-Adenosylmethionine::S-adenosyl-L-[carboxy-14C]methionine::[14COOH]AdoMet

SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=MEFKEPWMEQBLKI-AIRLBKTGSA-N

Data  7 KI  1 IC50  11 Kd  1 EC50  9 ITC

PDB links: 127 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 28422   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes, Digestive And Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  675nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTransmembrane and immunoglobulin domain-containing 3(RAT)
National Institute Of Diabetes, Digestive And Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  2.47E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes, Digestive And Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  2.78E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetS-adenosylmethionine decarboxylase proenzyme(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  6.00E+4nMAssay Description:Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein-L-isoaspartate(D-aspartate) O-methyltransferase(Homo sapiens (Human))
Cnrs

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  1.64E+5nMAssay Description:Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein-L-isoaspartate(D-aspartate) O-methyltransferase(Homo sapiens (Human))
Cnrs

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  1.64E+5nMAssay Description:Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetS-adenosylmethionine decarboxylase proenzyme(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  3.00E+5nMAssay Description:In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  2.67E+4nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  4.72E+4nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  1.91E+4nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  1.07E+4nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  5.80E+3nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  4.80E+3nMAssay Description:Activity of human wild type PNMT assessed as phenylethanolamine methylationMore data for this Ligand-Target Pair
TargetMet repressor(Escherichia coli)
University Of Leeds

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataEC50:  17nMAssay Description:Binding affinity to Escherichia coli metJ assessed as protein dimer-DNA complex formation using F-metC operator DNA by fluorescence anisotropyMore data for this Ligand-Target Pair
TargetMet repressor(Escherichia coli)
University Of Leeds

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  4nMAssay Description:Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding studyMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 1 [11-371](Homo sapiens (Human))
University Park

Curated by ChEMBL
LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  1.66E+4nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  6.10E+3nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  8.20E+3nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKd:  1.14E+4nMpH: 7.5 T: 2°CAssay Description:For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm ??-mercaptoethanol, and 5% g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 28422   

CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.69kcal/mole −TΔS°: 0.0676kcal/mole ΔH°: -6.69kcal/mole
pH: 7.5 T: 10.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.45kcal/mole −TΔS°: 2.41kcal/mole ΔH°: -8.84kcal/mole
pH: 7.5 T: 15.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.69kcal/mole −TΔS°: -1.99kcal/mole ΔH°: -4.54kcal/mole
pH: 7.5 T: 5.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.45kcal/mole −TΔS°: 4.76kcal/mole ΔH°: -11.1kcal/mole
pH: 7.5 T: 20.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.21kcal/mole −TΔS°: 7.83kcal/mole ΔH°: -14.3kcal/mole
pH: 7.5 T: 25.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -5.73kcal/mole −TΔS°: 9.27kcal/mole ΔH°: -15.1kcal/mole
pH: 7.5 T: 4.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.21kcal/mole −TΔS°: 6.22kcal/mole ΔH°: -12.5kcal/mole
pH: 7.5 T: 4.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.69kcal/mole −TΔS°: 6.62kcal/mole ΔH°: -13.6kcal/mole
pH: 7.5 T: 4.00°C 
In DepthDetails ArticlePubMed
CellPhosphoehtnaolamine Methyltransferases 1 (PMT1)(Caenorhabditis elegans)
Washington University

SyringePNGBDBM28422((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
ITC DataΔG°: -6.93kcal/mole −TΔS°: 5.49kcal/mole ΔH°: -12.7kcal/mole
pH: 7.5 T: 4.00°C 
In DepthDetails ArticlePubMed