Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50238416'   

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 (Homo sapiens (Human))	BDBM50238416 (CHEMBL4087470) Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50238416 (CHEMBL4087470) Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Inhibition of His-tagged TNKS1 (1091 to 1325 residues) (unknown origin) assessed as reduction in PARsylation of GST-tev-Axin2 preincubated for 30 min...				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50238416 (CHEMBL4087470) Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced...				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair