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 = 'BDBM50541717'   

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))	BDBM50541717 (CHEMBL4646640 | US11926614, Example 5) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:20.25,wD:18.20,(11.34,-6.67,;10,-7.45,;10,-8.99,;8.66,-9.76,;7.32,-8.99,;7.32,-7.45,;8.66,-6.68,;8.66,-5.14,;9.91,-4.23,;9.44,-2.76,;7.89,-2.76,;7.41,-4.23,;5.95,-4.71,;5.63,-6.21,;4.17,-6.69,;3.01,-5.66,;3.34,-4.15,;4.81,-3.67,;11.38,-4.71,;12.08,-6.09,;13.45,-5.38,;12.76,-4.01,;14.92,-5.87,;16.07,-4.84,;15.75,-3.34,;17.53,-5.32,;18.66,-4.3,;20.12,-4.77,;20.44,-6.28,;19.29,-7.3,;19.6,-8.79,;18.47,-9.81,;17.01,-9.34,;16.7,-7.84,;17.84,-6.82,)| Show InChI InChI=1S/C25H19ClN8O/c26-18-4-1-2-6-21(18)34-23(32-33-24(34)20-8-10-27-14-30-20)15-12-16(13-15)31-25(35)17-7-11-28-19-5-3-9-29-22(17)19/h1-11,14-16H,12-13H2,(H,31,35)/t15-,16-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0480	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
					More data for this Ligand-Target Pair