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 = 'BDBM50541710'   

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))	BDBM50541710 (CHEMBL4640597 | US11926614, Example 181) Show SMILES FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(29.13,-19.08,;30.59,-18.6,;30.91,-17.09,;31.73,-19.63,;33.2,-19.15,;34.35,-20.18,;35.81,-19.7,;36.13,-18.2,;34.98,-17.16,;33.52,-17.64,;37.59,-17.73,;38.06,-16.26,;39.6,-16.26,;40.08,-17.73,;41.55,-18.2,;42.24,-19.58,;43.62,-18.88,;42.92,-17.51,;45.08,-19.36,;46.23,-18.33,;45.9,-16.82,;47.69,-18.8,;48.82,-17.77,;50.28,-18.24,;50.62,-19.75,;52.08,-20.22,;49.47,-20.79,;48.01,-20.31,;38.84,-18.63,;38.84,-20.17,;37.5,-20.94,;37.5,-22.48,;38.84,-23.25,;40.18,-22.47,;40.17,-20.93,;41.5,-20.16,)| Show InChI InChI=1S/C24H18F4N6O2/c25-14-5-7-19(29-11-14)23(35)31-15-9-13(10-15)21-32-33-22(34(21)20-4-2-1-3-17(20)26)18-8-6-16(12-30-18)36-24(27)28/h1-8,11-13,15,24H,9-10H2,(H,31,35)/t13-,15-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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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