BDBM50541697 CHEMBL4633637

SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F

InChI Key InChIKey=ZBRBBDJXHBEGHX-QAQDUYKDSA-N

Data  25 IC50

PDB links: 2 PDB IDs match 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 25 hits for monomerid = 50541697   

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

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50:  14nMAssay 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
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Symeres

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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-1(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50:  127nMAssay Description:Inhibition of human TNKS1 (1030 to 1317 residues) measured after 20 hrs in presence of NAD+ by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of ARTD1 (unknown origin) measured after 30 mins in presence of NAD+ by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of ARTD2 (unknown origin) measured after 30 mins in presence of NAD+ by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of ARTD3 (unknown origin) measured after 4 hrs in presence of NAD+ by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP4(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of N-terminal His-tagged human ARTD4 (250 to 565 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 2.5 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP15(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of N-terminal His-tagged human ARTD7 (482 to 678 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 3 h...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP14(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD8 (1535 to 1801 residues) expressed in Escherichia coli Rosetta2 (DE3) after 21 hrs i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP12(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD12 (469 to 701 residues) expressed in Escherichia coli Rosetta2 (DE3) after 20 hrs in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Symeres

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >2.50E+4nMAssay Description:Displacement of [3H]dofetilide from recombinant human ERG measured after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50:  127nMAssay 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 ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50:  126nMAssay 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 ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
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))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1/tankyrase-2(Homo sapiens (Human))
University Of Oslo

Curated by ChEMBL
LigandPNGBDBM50541697(CHEMBL4633637)
Affinity DataIC50:  19nMAssay Description:Inhibition of TNKS1/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by dual-glo lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed