Identical Ligands in BindingDB

Found 5 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	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2   (43/48 = 90%)† (Homo sapiens (Human))	BDBM50136756 (CHEMBL3752054) Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of tankyrase in WNT3a-stimulated human HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1   (43/48 = 90%)† (Homo sapiens (Human))	BDBM50136756 (CHEMBL3752054) Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human TNKS1 by fluorescence analysis				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1   (43/48 = 90%)† (Homo sapiens (Human))	BDBM50136756 (CHEMBL3752054) Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human TNKS1 by fluorescence analysis				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2   (48/48 = 100%)† (Homo sapiens (Human))	BDBM50136756 (CHEMBL3752054) Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human TNKS2 by fluorescence analysis				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2   (48/48 = 100%)† (Homo sapiens (Human))	BDBM50136756 (CHEMBL3752054) Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)CCOCC1 Show InChI InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human TNKS2 by fluorescence analysis				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair				3D Structure (crystal)

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