BDBM50090850 (2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol::2-Aminomethyl-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol::5'-amino-5'-deoxyadenosine::CHEMBL302376

SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=GVSGUDGNTHCZHI-KQYNXXCUSA-N

Data  14 KI  7 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50090850   

TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi: >10nMAssay Description:Binding affinity at rat brain Adenosine A2A receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi: >10nMAssay Description:Binding affinity at rat adenosine A3 receptor in RBL-2H3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi: >10nMAssay Description:Binding affinity at rat brain Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  52nMAssay Description:Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  407nMAssay Description:Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  425nMAssay Description:Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  492nMAssay Description:Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  534nMAssay Description:Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  604nMAssay Description:Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi: >3.00E+3nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetS-adenosylmethionine decarboxylase proenzyme(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  2.00E+5nMAssay Description:Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  1.00E+6nMAssay Description:Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetS-adenosylmethionine decarboxylase proenzyme(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKi:  1.70E+6nMAssay 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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKd: >5.00E+4nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataKd: >5.00E+4nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...More data for this Ligand-Target Pair
TargetAdenosylhomocysteinase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  7.50E+4nMAssay Description:Inhibition of human recombinant placental SAHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  170nMAssay Description:Inhibitory activity against Human Recombinant Adenosine KinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Rattus norvegicus (rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  15nMAssay Description:In vitro inhibition of Adenosine kinase of rat brain cytosol.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  6.33E+3nMAssay Description:Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Rattus norvegicus (rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  15nMAssay Description:In vitro inhibition of Adenosine kinase (AK)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50090850((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Affinity DataIC50:  170nMAssay Description:Inhibition of recombinant human adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed