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 = 'BDBM50541698'   

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))	BDBM50541698 (CHEMBL4635489 | US11926614, Example 25) Show SMILES Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:19.24,wD:17.19,(41.59,-20.45,;40.25,-21.22,;40.26,-22.76,;38.92,-23.54,;37.59,-22.76,;37.59,-21.23,;38.92,-20.46,;38.92,-18.92,;40.17,-18.02,;39.69,-16.55,;38.15,-16.55,;37.67,-18.02,;36.21,-18.49,;34.97,-17.59,;33.72,-18.49,;34.2,-19.96,;35.74,-19.95,;41.63,-18.49,;42.33,-19.87,;43.7,-19.17,;43,-17.8,;45.17,-19.65,;46.31,-18.62,;45.99,-17.11,;47.77,-19.09,;48.91,-18.06,;50.37,-18.53,;50.7,-20.04,;49.55,-21.07,;48.09,-20.6,)| Show InChI InChI=1S/C21H17FN6OS/c22-15-5-1-2-7-17(15)28-18(26-27-19(28)21-24-9-10-30-21)13-11-14(12-13)25-20(29)16-6-3-4-8-23-16/h1-10,13-14H,11-12H2,(H,25,29)/t13-,14-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	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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