BDBM18136 ADP, alpha beta-me::AMPCPP::[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid::alpha, beta-methyleneadenosine 5 -diphosphate::cid_92199

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

InChI Key InChIKey=OLCWZBFDIYXLAA-IOSLPCCCSA-N

Data  13 KI  17 IC50  1 EC50

PDB links: 4 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 30 hits for monomerid = 18136   

Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  88nMAssay Description:Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  88nMAssay Description:Inhibition of human CD73 using AMP as substrate by Malachite green phosphate reagent-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  88nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  88nMAssay Description:Inhibition of human recombinant soluble CD73 assessed as inhibition constant by radiometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  88nMAssay Description:Inhibition of CD73 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5'-nucleotidase(Rattus norvegicus (Rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  167nMAssay Description:Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Rattus norvegicus (Rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  197nMAssay Description:Inhibition of purified recombinant soluble rat CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  207nMAssay Description:Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  510nMAssay Description:Inhibition of CD73 in human melanoma 1539 cells using AMP substrate by capillary electrophoresis assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Rattus norvegicus (Rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  870nMAssay Description:Inhibition of rat CD73 expressed in baculovirus infected insect cells using AMP substrate by capillary electrophoresis assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 3(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycine--tRNA ligase(Bombyx mori)
Medical College Of Ohio

LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataKi:  6.00E+4nM ΔG°:  -5.76kcal/mole IC50:  6.00E+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
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataEC50:  1.63E+4nMAssay Description:Inhibition of CD73 in human NCI-H1568 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  3.97E+3nMAssay Description:Inhibition of human CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5'-nucleotidase(Mus musculus)
The Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  4.63E+3nMAssay Description:Inhibition of mouse CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  2.65E+3nMAssay Description:Inhibition of human C-terminal His6-tagged CD73 expressed in CHO cells preincubated for 15 mins followed by AMP addition and measured after 10 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  187nMAssay Description:Inhibition of human CD73 using AMP as substrate by Malachite green phosphate reagent-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Mus musculus)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of mouse CD39More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Mus musculus)
The Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  4.63E+3nMAssay Description:Inhibition of mouse CD73More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  3.97E+3nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  50nMAssay Description:Inhibition of human CD73 expressed in CHO cells using AMP as substrate preincubated for 10 mins followed by substrate addition and measured every min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  60nMAssay Description:Inhibition of human C-terminal His6-tagged CD73 expressed in HEK293F cells using [15N]5-AMP as substrate preincubated for 1 hr followed by substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of recombinant human CD73 using AMP as substrate incubated for 90 mins by malachite green colorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  2.14E+4nMAssay Description:Inhibition of CD73 in human MDA-MB-231 cells assessed as reduction in conversion of AMP to adenosine incubated for 30 mins by malachite green reagent...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of recombinant CD73 (27 to 549 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conv...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  2.36E+4nMAssay Description:Inhibition of CD73 in human NCI-H292 cells assessed as reduction in conversion of AMP to adenosine incubated for 30 mins by malachite green reagent b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  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
In DepthDetails PCBioAssay
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  2.20E+3nMAssay 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
In DepthDetails PCBioAssay
Target5'-nucleotidase(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM18136(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of recombinant human CD73 using AMP as substrate incubated for 120 mins by CellTiter-Glo assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed