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 4 hits for monomerid = 50179360   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
Quaid-I-Azam University

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  8.67E+3nMAssay Description:Inhibition of human NPP1 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 3(Homo sapiens (Human))
Quaid-I-Azam University

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  1.27E+3nMAssay Description:Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 3(Homo sapiens (Human))
Quaid-I-Azam University

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  890nMAssay Description:Inhibition of human recombinant NPP3 expressed in COS-7 cell membrane at 100 uM using p-nitrophenyl thymidine monophosphate substrate incubated for 3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
Quaid-I-Azam University

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  7.77E+3nMAssay Description:Inhibition of human recombinant NPP1 expressed in COS-7 cell membrane at 100 uM using p-nitrophenyl thymidine monophosphate substrate incubated for 3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed