Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50557899'   

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))	BDBM50557899 (CHEMBL4764192) Show SMILES OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3cccc(F)c3c2=O)CC1 |r,wU:3.2,wD:6.6,(16.02,-47.52,;14.69,-48.29,;14.69,-49.83,;13.35,-47.52,;12.02,-48.29,;10.69,-47.52,;10.7,-45.98,;9.36,-45.21,;8.03,-45.99,;8.04,-47.54,;9.37,-48.31,;6.69,-48.32,;6.7,-49.86,;5.36,-50.63,;4.03,-49.86,;2.7,-50.63,;2.7,-52.17,;4.05,-52.94,;5.37,-52.16,;6.72,-52.93,;8.06,-53.69,;4.06,-54.48,;2.65,-55.18,;5.64,-54.61,;3.9,-55.93,;5.35,-47.55,;4.01,-48.32,;2.68,-47.55,;2.68,-46,;4.01,-45.23,;4.01,-43.7,;5.34,-46,;6.68,-45.21,;6.67,-43.66,;12.02,-45.21,;13.35,-45.98,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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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