BDBM50579974 CHEMBL5090849::US11926614, Example 154::US20230322721, Example 154 of WO 2019/243822

SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F

InChI Key InChIKey=ARCOJIXZDJYBCH-UHFFFAOYSA-N

Data  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50579974   

TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human TNKS1 (1030 to 1317 residues) incubated for 20 hrs in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human TNKS1 (1030 to 1317 residues) incubated for 20 hrs in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP1 (unknown origin) incubated for 30 mins in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP2 (unknown origin) incubated for 30 mins in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP3 (unknown origin) incubated for 4 hrs in presence of NADMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP10 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP12 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP14 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PARP15 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.80nMAssay Description:Each compound was dissolved in DMSO to a concentration of 10 mM and further diluted to 100 μM using acetonitrile. Liver microsomes from selected...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Symeres

Curated by ChEMBL
LigandPNGBDBM50579974(CHEMBL5090849 | US20230322721, Example 154 of WO 2...)
Affinity DataIC50: 1.80nMAssay 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
In DepthDetails
US Patent