Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM624872'   

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))	BDBM624872 (1-oxide | US20230322721, Example 27) Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cc(O)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;8.76,-3.86,;6.45,-2.53,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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