Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2' and Ligand = 'BDBM50541715'   

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/tankyrase-2 (Homo sapiens (Human))	BDBM50541715 (CHEMBL4633567) Show SMILES Clc1ccccc1-n1c(nnc1C12CC(C1)(C2)n1c2ccc(cc2[nH]c1=O)C#N)-c1ccncn1 |(37.98,-49.76,;36.64,-50.53,;36.66,-52.07,;35.31,-52.85,;33.97,-52.08,;33.97,-50.53,;35.31,-49.77,;35.31,-48.23,;34.06,-47.32,;34.54,-45.85,;36.08,-45.85,;36.55,-47.32,;38.02,-47.8,;38.73,-49.18,;40.1,-48.48,;39.4,-47.11,;38.91,-48.53,;41.56,-48.95,;42.05,-50.41,;41.28,-51.74,;42.05,-53.07,;43.59,-53.07,;44.36,-51.74,;43.59,-50.41,;44.07,-48.94,;42.82,-48.04,;42.82,-46.49,;44.38,-54.4,;45.15,-55.73,;32.6,-47.8,;32.28,-49.3,;30.82,-49.78,;29.67,-48.75,;29.99,-47.24,;31.45,-46.76,)| Show InChI InChI=1S/C25H17ClN8O/c26-16-3-1-2-4-19(16)33-21(17-7-8-28-14-29-17)31-32-22(33)24-11-25(12-24,13-24)34-20-6-5-15(10-27)9-18(20)30-23(34)35/h1-9,14H,11-13H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of TNKS1/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by dual-glo lucifer...				J Med Chem 63: 6834-6846 (2020) Article DOI: 10.1021/acs.jmedchem.0c00208 BindingDB Entry DOI: 10.7270/Q2RR22SX
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