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 c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F

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(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAxin-2(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein Wnt-3a(Mouse)
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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 11nMAssay Description:Inhibition of TNKS1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataKd:  100nMAssay Description:Binding affinity to TNKS1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(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 Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
LigandPNGBDBM50318567(2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...)
Affinity DataIC50: 11nMAssay Description:Inhibition of TNKS1More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein Wnt-3a(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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
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
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInosine-5'-monophosphate dehydrogenase 2(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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
10/16/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
10/16/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
Karolinska Institutet

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
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein mono-ADP-ribosyltransferase PARP6(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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetProtein mono-ADP-ribosyltransferase PARP3 [R100H](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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 2(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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 1(Human)
Novartis Institutes For Biomedical Research

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
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed