BDBM50579974 CHEMBL5090849::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-IYARVYRRSA-N

Data  15 IC50

PDB links: 1 PDB ID matches this monomer.

  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 15 hits for monomerid = 50579974   

TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (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
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (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
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (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
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (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
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (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 ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (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 ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP4(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP12(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP14(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP15(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Symeres

Curated by ChEMBL
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 ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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 ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (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