Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50579978'   

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))	BDBM50579978 (CHEMBL5093410) Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nc(C)c(C)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.77,-14.42,;2.68,-13.18,;4.2,-13.34,;5.1,-12.1,;6.62,-12.26,;7.52,-11.02,;6.9,-9.63,;5.38,-9.47,;4.48,-10.7,;7.8,-8.4,;7.33,-6.92,;8.57,-6,;9.83,-6.92,;11.31,-6.43,;12.68,-7.15,;13.4,-5.77,;12.01,-5.06,;14.88,-5.29,;15.21,-3.77,;14.04,-2.73,;16.68,-3.28,;16.99,-1.76,;18.46,-1.28,;19.63,-2.32,;19.31,-3.84,;20.45,-4.87,;20.13,-6.38,;21.28,-7.4,;18.65,-6.87,;18.34,-8.37,;17.51,-5.83,;17.83,-4.32,;9.35,-8.4,;10.25,-9.64,;9.62,-11.03,;10.52,-12.27,;12.05,-12.11,;12.66,-10.7,;11.76,-9.47,;12.37,-8.07,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NAD				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01264 BindingDB Entry DOI: 10.7270/Q21R6VDH
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