null

SMILES OCCN1CC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F

InChI Key InChIKey=FZQYCOUBRJEYBC-UHFFFAOYSA-N

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 20 hits for monomerid = 50511566   

TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))TBA
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of human recombinant N-terminal TEV-cleavgae site-fused-FLAG/Polyhis-tagged PARP10 (2 to 583 residues) expressed in Escherichia coli asses...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S46WC3PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))TBA
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 SAM-PARP domain (613 to 1166 residues) expressed in Esc...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Esc...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured afte...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S46WC3PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured afte...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XD150KPubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))TBA
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 ARC5-SAM-PARP domain (613 to 1166 residues) expressed i...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Japanese Foundation for Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 2.72E+3nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XD150KPubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of human recombinant N-terminal TEV-cleavgae site-fused-FLAG/Polyhis-tagged PARP10 (2 to 583 residues) expressed in Escherichia coli asses...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XD150KPubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Esc...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 14nMMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))TBA
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1PK7PubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Japanese Foundation for Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 2.72E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1PK7PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
RIKEN

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 14nMMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Japanese Foundation for Cancer Research

Curated by ChEMBL
LigandPNGBDBM50511566(CHEMBL4448872)copy SMILEScopy InChI
Affinity DataIC50: 2.72E+3nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S46WC3PubMed