Affinity Data by PDB ID

PDB code 3UH4

Identical Ligands in BindingDB

Found 32 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of TNKS2				J Med Chem 53: 5352-5 (2010) Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5
Karolinska Institutet Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of tankyrase2 (unknown origin)				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of TNKS2				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS-2 (unknown origin) by TCF/beta-catenin-dependent reporter assay				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
Universit£ degli Studi di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS2P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis				J Med Chem 55: 1127-36 (2012) Article DOI: 10.1021/jm2011222 BindingDB Entry DOI: 10.7270/Q2BK1DCV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biot...				J Med Chem 60: 1262-1271 (2017) Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV
Health& Science University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.25	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biot...				J Med Chem 60: 1262-1271 (2017) Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV
Health& Science University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human tankyrase2 after 2 hrs by spectrophotometry				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay				Eur J Med Chem 118: 316-27 (2016) Article DOI: 10.1016/j.ejmech.2016.04.041 BindingDB Entry DOI: 10.7270/Q22F7QC0
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of TNKS1				J Med Chem 53: 5352-5 (2010) Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5
Karolinska Institutet Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS-1 (unknown origin) by TCF/beta-catenin-dependent reporter assay				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
Universit£ degli Studi di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of tankyrase1 (unknown origin)				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of TNKS1				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) Curated by ChEMBL					Assay Description Inhibition of tankyrase1/2 (unknown origin)				J Med Chem 61: 9811-9840 (2018) Article DOI: 10.1021/acs.jmedchem.8b00294 BindingDB Entry DOI: 10.7270/Q2XK8J7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis				J Med Chem 55: 1127-36 (2012) Article DOI: 10.1021/jm2011222 BindingDB Entry DOI: 10.7270/Q2BK1DCV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) by biochemical assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human TNKS1 catalytic activity				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human TNKS2 catalytic activity				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay				J Med Chem 56: 1341-5 (2013) Article DOI: 10.1021/jm301607v BindingDB Entry DOI: 10.7270/Q21N82DQ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...				Eur J Med Chem 118: 316-27 (2016) Article DOI: 10.1016/j.ejmech.2016.04.041 BindingDB Entry DOI: 10.7270/Q22F7QC0
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human tankyrase1 after 30 mins by spectrophotometry				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assay				J Med Chem 56: 1341-5 (2013) Article DOI: 10.1021/jm301607v BindingDB Entry DOI: 10.7270/Q21N82DQ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human TNKS1 ADP-ribosyltransferase/sterile alpha motif domain expressed in Escherichia coli BL21(DE3) preincubated for 15 m...				J Med Chem 60: 1262-1271 (2017) Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV
Health& Science University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	95.5	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human TNKS1 ADP-ribosyltransferase/sterile alpha motif domain expressed in Escherichia coli BL21(DE3) preincubated for 15 m...				J Med Chem 60: 1262-1271 (2017) Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV
Health& Science University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of tankyrase in human DLD1 cells assessed as reduction in Wnt activity after 24 hrs by TCF-luciferase reporter gene assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity to TNKS2				J Med Chem 53: 5352-5 (2010) Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5
Karolinska Institutet Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity to TNKS1				J Med Chem 53: 5352-5 (2010) Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5
Karolinska Institutet Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly1166 residues) expressed in Escherichia coli by surface plasmon reson...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
University of Salerno Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (222/223 > 99%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity to human recombinant TNSK1 expressed in Escherichia coli by isothermal titration calorimetry				J Med Chem 53: 5352-5 (2010) Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5
Karolinska Institutet Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (186/211 = 88%)^† (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity to full-length human recombinant TNSK2 expressed in Escherichia coli by isothermal titration calorimetry				J Med Chem 53: 5352-5 (2010) Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5
Karolinska Institutet Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output