BDBM50541694 CHEMBL4643964::US11926614, Example 55

SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F

InChI Key InChIKey=VQDCXZLOFBIDTL-IYARVYRRSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50541694   

TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50541694(CHEMBL4643964 | US11926614, Example 55)
Affinity DataIC50:  4.30nMAssay Description:Inhibition of human TNKS2 (873 to 1162 residues) measured after 20 hrs in presence of NAD+ by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50541694(CHEMBL4643964 | US11926614, Example 55)
Affinity DataIC50:  2nMAssay Description:Biochemical IC50 values for the following compounds were determined in accordance with the following protocol (see also Anumala et al., Discovery of ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50541694(CHEMBL4643964 | US11926614, Example 55)
Affinity DataIC50:  4.30nMAssay Description:Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NADMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed