Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50541716'   

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-2 (Homo sapiens (Human))	BDBM50541716 (CHEMBL4641515 | US11926614, Example 10) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(68.32,-51.25,;66.99,-52.03,;66.99,-53.57,;65.65,-54.34,;64.31,-53.57,;64.31,-52.03,;65.65,-51.26,;65.65,-49.72,;66.9,-48.82,;66.43,-47.35,;64.88,-47.35,;64.4,-48.82,;62.94,-49.29,;62.62,-50.79,;61.16,-51.27,;60,-50.24,;60.33,-48.73,;61.8,-48.25,;68.37,-49.29,;69.07,-50.67,;70.44,-49.97,;69.74,-48.6,;71.91,-50.45,;73.05,-49.43,;72.74,-47.92,;74.51,-49.91,;75.64,-48.88,;77.1,-49.35,;77.42,-50.86,;76.28,-51.89,;74.82,-51.41,)| Show InChI InChI=1S/C22H18ClN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)17-8-10-24-13-26-17)14-11-15(12-14)27-22(31)18-6-3-4-9-25-18/h1-10,13-15H,11-12H2,(H,27,31)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50541716 (CHEMBL4641515 | US11926614, Example 10) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(68.32,-51.25,;66.99,-52.03,;66.99,-53.57,;65.65,-54.34,;64.31,-53.57,;64.31,-52.03,;65.65,-51.26,;65.65,-49.72,;66.9,-48.82,;66.43,-47.35,;64.88,-47.35,;64.4,-48.82,;62.94,-49.29,;62.62,-50.79,;61.16,-51.27,;60,-50.24,;60.33,-48.73,;61.8,-48.25,;68.37,-49.29,;69.07,-50.67,;70.44,-49.97,;69.74,-48.6,;71.91,-50.45,;73.05,-49.43,;72.74,-47.92,;74.51,-49.91,;75.64,-48.88,;77.1,-49.35,;77.42,-50.86,;76.28,-51.89,;74.82,-51.41,)| Show InChI InChI=1S/C22H18ClN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)17-8-10-24-13-26-17)14-11-15(12-14)27-22(31)18-6-3-4-9-25-18/h1-10,13-15H,11-12H2,(H,27,31)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of human TNKS2 (873 to 1162 residues) measured after 20 hrs in presence of NAD+ by fluorescence assay				J Med Chem 63: 6834-6846 (2020) Article DOI: 10.1021/acs.jmedchem.0c00208 BindingDB Entry DOI: 10.7270/Q2RR22SX
					More data for this Ligand-Target Pair