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 6 hits for monomerid = 18136   

Target5'-nucleotidase(Homo sapiens (Human))
Arcus Biosciences

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))
Arcus Biosciences

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
Target5'-nucleotidase(Homo sapiens (Human))
Arcus Biosciences

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))
Arcus Biosciences

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))
Arcus Biosciences

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))
Arcus Biosciences

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