BDBM50318567 2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol::2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol::CHEMBL1086580

SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1

InChI Key InChIKey=KLGQSVMIPOVQAX-UHFFFAOYSA-N

Data  38 IC50  5 Kd  1 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50318567   

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

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  9.60nMAssay Description:Inhibition of human tankyrase2 after 2 hrs by spectrophotometryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  4nMAssay Description:Inhibition of TNKS2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant IMPDH2 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  4nMAssay Description:Inhibition of tankyrase2 (unknown origin)More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  11nMAssay Description:Inhibition of tankyrase1 (unknown origin)More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  11nMAssay Description:Inhibition of TNKS-1 (unknown origin) by TCF/beta-catenin-dependent reporter assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  4nMAssay Description:Inhibition of TNKS-2 (unknown origin) by TCF/beta-catenin-dependent reporter assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human TNKS2 catalytic activityMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human TNKS1 catalytic activityMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometryMore data for this Ligand-Target Pair
TargetProtein Wnt-3a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  78nMAssay Description:Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  106nMAssay Description:Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  1.37E+3nMAssay Description:Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysisMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  106nMAssay Description:Inhibition of PARP2 (unknown origin) after 60 mins by LC-MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  1.37E+3nMAssay Description:Inhibition of human PARP1 after 60 mins by LC-MS analysisMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP6(Homo sapiens (Human))
Nanyang Technological University

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PARP6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein mono-ADP-ribosyltransferase PARP3 [R100H](Homo sapiens (Human))
Nanyang Technological University

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PARP3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  46nMAssay Description:Inhibition of PARP2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  120nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  11nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  4nMAssay Description:Inhibition of PARP2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  17nMAssay Description:Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  68nMAssay Description:Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  1.18E+3nMAssay Description:Inhibition of PARP1 autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysisMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  134nMAssay Description:Inhibition of PARP2 autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERG by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAxin-2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataEC50:  371nMAssay Description:Stabilization of Axin2 in human SW480 cells after 24 hrs by sandwich ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  13nMAssay Description:Inhibition of GST-tagged TNKS1P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysisMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  5nMAssay Description:Inhibition of GST-tagged TNKS2P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysisMore data for this Ligand-Target Pair
TargetProtein Wnt-3a(Mus musculus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  78nMAssay Description:Inhibition of mouse Wnt3A signaling in human HEK293 cells after 1 day by super top flash luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  4nMAssay Description:Inhibition of TNKS2More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  11nMAssay Description:Inhibition of TNKS1More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataKd:  10nMAssay Description:Binding affinity to TNKS2More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataKd:  100nMAssay Description:Binding affinity to TNKS1More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataKd:  14nMAssay Description:Binding affinity to full-length human recombinant TNSK2 expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataKd:  8nMAssay Description:Binding affinity to human recombinant TNSK1 expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataKd:  620nMAssay Description:Binding affinity to PARP1 by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of PARP1More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  114nMAssay Description:Inhibition of PARP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  11nMAssay Description:Inhibition of TNKS1More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50318567(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Affinity DataIC50:  17nMAssay Description:Inhibition of human tankyrase1 after 30 mins by spectrophotometryMore data for this Ligand-Target Pair