BDBM50179360 CHEMBL3040216

SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

InChI Key InChIKey=VTCUUTNDNRAQSK-NCNWUEASSA-N

Data  6 KI  83 IC50  3 Kd  2 EC50

  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 3 hits for monomerid = 50179360   

TargetEctonucleoside triphosphate diphosphohydrolase 1(Homo sapiens (Human))
Universit£T Rostock

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  1.61E+4nMAssay Description:Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Homo sapiens (Human))
Universit£T Rostock

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of human CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malac...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Mus musculus)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of mouse CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malac...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed