BDBM50552127 CHEMBL4750781

SMILES CCCCSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

InChI Key InChIKey=VFLYSLPYKLFYSL-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50552127   

TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50552127(CHEMBL4750781)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Malachite ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50552127(CHEMBL4750781)
Affinity DataKi:  800nMAssay Description:Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Dixon and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed