Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50557901'   

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))	BDBM50557901 (CHEMBL4761086) Show SMILES Cc1ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c2c1C |r,wU:26.30,wD:23.23,(51.3,-45.79,;52.63,-46.56,;52.63,-48.1,;53.96,-48.87,;55.3,-48.11,;56.64,-48.88,;56.65,-50.41,;55.32,-51.19,;53.98,-50.42,;52.65,-51.19,;52.66,-52.73,;54,-53.5,;55.33,-52.72,;56.67,-53.48,;58.01,-54.25,;54.01,-55.04,;52.6,-55.74,;55.6,-55.17,;53.85,-56.48,;57.99,-48.1,;59.32,-48.86,;57.98,-46.54,;59.31,-45.77,;60.65,-46.53,;60.64,-48.08,;61.97,-48.84,;63.31,-48.08,;63.31,-46.53,;61.97,-45.76,;64.64,-48.85,;65.97,-48.08,;64.64,-50.39,;56.63,-45.77,;56.62,-44.22,;55.29,-46.55,;53.96,-45.79,;53.95,-44.25,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
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