BDBM50118807 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL::2-FluoroAdo::2-fluoroadenosine::6-amino-2-fluoro-9-beta-D-ribofuranosylpurine::CHEMBL290077::cid_8975

SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=HBUBKKRHXORPQB-UUOKFMHZSA-N

Data  3 KI  4 EC50

PDB links: 7 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 7 hits for monomerid = 50118807   

TargetAdenosine receptor A1(Rat)
National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataKi:  5.90nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rat)
National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataKi:  28nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataKi:  99nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataEC50:  2.66E+3nMAssay Description:Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50118807(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Affinity DataEC50:  5.46E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay