Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50579976'   

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))	BDBM50579976 (CHEMBL5093078) Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3ncc(C)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(35.69,-57.87,;36.59,-56.64,;38.1,-56.8,;39,-55.57,;40.52,-55.72,;41.41,-54.49,;40.8,-53.1,;39.28,-52.94,;38.38,-54.17,;41.69,-51.88,;41.22,-50.41,;42.46,-49.49,;43.72,-50.41,;45.19,-49.92,;46.56,-50.63,;47.27,-49.25,;45.89,-48.55,;48.74,-48.78,;49.07,-47.26,;47.92,-46.23,;50.54,-46.78,;50.85,-45.27,;52.32,-44.78,;53.48,-45.82,;53.16,-47.34,;54.3,-48.36,;53.98,-49.87,;52.51,-50.35,;52.19,-51.84,;51.37,-49.32,;51.69,-47.81,;43.24,-51.88,;44.14,-53.11,;43.51,-54.5,;44.41,-55.73,;45.92,-55.57,;46.54,-54.17,;45.64,-52.94,;46.26,-51.55,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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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