BDBM50552126 CHEMBL4797422

SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=WSZVIMRUDWGINS-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50552126   

TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50552126(CHEMBL4797422)
Affinity DataIC50: 2.80E+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 DepthDetails Article
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50552126(CHEMBL4797422)
Affinity DataKi:  900nMAssay 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 DepthDetails Article
PubMed