BindingDB PrimarySearch

null

SMILES: Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KLGQSVMIPOVQAX-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50188594
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (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 2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02139 BindingDB Entry DOI: 10.7270/Q27H1PK7
TBA					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence 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 (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)
Protein mono-ADP-ribosyltransferase PARP4 (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	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP4 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...				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
Protein mono-ADP-ribosyltransferase PARP14 (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	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP14 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins fol...				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
Protein mono-ADP-ribosyltransferase PARP3 (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	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His6-tagged PARP3 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP1 autophosphorylation at ADP-ribosyltransferase domain by LC-MS/MS method				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 (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 2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP2 autophosphorylation at ADP-ribosyltransferase domain by LC-MS/MS method				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His6-tagged PARP1				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)
Protein mono-ADP-ribosyltransferase PARP3 (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	Article PubMed	n/a	n/a	839	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His6-tagged PARP3 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				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
Protein mono-ADP-ribosyltransferase PARP4 (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	Article PubMed	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP4 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...				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 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll...				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)
Protein mono-ADP-ribosyltransferase PARP14 (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	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP14 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins fol...				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
Poly [ADP-ribose] polymerase tankyrase-2 (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 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				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 2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Health& Science University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His6-tagged PARP2 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				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
Poly [ADP-ribose] polymerase tankyrase-1 (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 2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP2 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
A GlaxoSmithKline Company Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP4 (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	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP4 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
A GlaxoSmithKline Company Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14 (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	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP14 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
A GlaxoSmithKline Company Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP16 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP16 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
A GlaxoSmithKline Company Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP11 (Homo sapiens)	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP11 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
A GlaxoSmithKline Company Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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 (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/tankyrase-2 (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/tankyrase-2 (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 (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-1 (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 (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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged TNKS2 (667 to 1166 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate ...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (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	351	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay 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...				J Med Chem 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888 BindingDB Entry DOI: 10.7270/Q2S46WC3
RIKEN Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay 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...				J Med Chem 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888 BindingDB Entry DOI: 10.7270/Q2S46WC3
RIKEN Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured afte...				J Med Chem 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888 BindingDB Entry DOI: 10.7270/Q2S46WC3
RIKEN Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay 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...				J Med Chem 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888 BindingDB Entry DOI: 10.7270/Q2S46WC3
RIKEN Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114417 BindingDB Entry DOI: 10.7270/Q2RB78MX
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114417 BindingDB Entry DOI: 10.7270/Q2RB78MX
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02139 BindingDB Entry DOI: 10.7270/Q27H1PK7
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02139 BindingDB Entry DOI: 10.7270/Q27H1PK7
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 \| CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02139 BindingDB Entry DOI: 10.7270/Q27H1PK7
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (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)