BDBM50505333 CHEMBL4437173

SMILES CC(C)(O)c1ccc(cc1)-c1nc2c(F)cc(F)cc2c(=O)[nH]1

InChI Key InChIKey=FHBYLOWAINBPRJ-UHFFFAOYSA-N

Data  20 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  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 22 hits for monomerid = 50505333   

TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 7nMAssay Description:Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 710nMAssay Description:Inhibition of human recombinant PARP1 incubated for 30 mins in the presence of NADMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 7nMAssay Description:Inhibition of human TNKS2 (873 to 1162 residues) measured after 15 hrs in presence of NAD+ by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 10nMAssay Description:Inhibition of human TNKS1 (1030 to 1317 residues) measured after 20 hrsMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 7nMAssay Description:Inhibition of TNKS1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 9.20nMAssay Description:Inhibition of human recombinant TNKS2 expressed in Escherichia coli assessed as inhibition at 20 uM measured after 48 hrs by fluorescence based analy...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 782nMAssay Description:Inhibition of recombinant human full-length Myc/His-tagged Parp-1 expressed in baculovirus infected Sf21 insect cells assessed as reduction in auto-P...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 710nMAssay Description:Inhibition of N-terminal GST-tagged recombinant full length human PARP1 expressed in Baculovirus infected Sf9 cells using biotinylated substrate afte...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataEC50:  320nMAssay Description:Inhibition of tankyrase 1/2 mediated auto-PARsylation in human DLD1 cells assessed as increase in tankyrase accumulation incubated for 24 hrs by lumi...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProtein mono-ADP-ribosyltransferase PARP15(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human N-terminal GST-tagged PARP15 (221 to 444 residues) expressed in Escherichia coli using biotinylated substrate by chemiluminescenc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP8(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant PARP8 by chemiluminescence methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human N-terminal FLAG-tagged/C-terminal Strep-tagged PARP10 (805 to 1025 residues) expressed in baculovirus infected Sf9 insect cells u...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataEC50:  319nMAssay Description:Inhibition of tankyrase 1/2 in human DLD1 cells assessed as increase in axin2 accumulation incubated for 24 hrs by luminex based bead assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProtein mono-ADP-ribosyltransferase PARP3(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of N-terminal GST-tagged recombinant full length human PARP3 expressed in Baculovirus infected Sf9 cells using biotinylated substrate afte...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 7nMAssay Description:Inhibition of GST-tagged recombinant human TNKS2 (667 to 1166 end residues) expressed in baculovirus infected sf9 cells using biotinylated substrate ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 10nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human TNKS1 (1001 to 1327 end residues) expressed in Baculovirus infected Sf9 cells using biotinylate...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProtein mono-ADP-ribosyltransferase PARP12(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human N-terminal His/GST-tagged PARP12 (500 to 701 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated subs...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP11(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human N-terminal GST-tagged PARP11 (8 to 338 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated substrate ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal FLAG-tagged recombinant human PARP7 (400 to 657 residues) expressed in Baculovirus infected Sf9 cells using biotinylated sub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP6(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human full length PARP6 expressed in Baculovirus infected Sf9 cells using biotinylated substrate afte...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Merck Healthcare

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 cells using biotinylated substr...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50505333(CHEMBL4437173)
Affinity DataIC50: 9.20nMAssay Description:Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)