Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2' and Ligand = 'BDBM50511558'   

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))	BDBM50511558 (CHEMBL4441668) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCN(C)CC1)cc2F Show InChI InChI=1S/C28H38FN7O3/c1-32-11-13-35(14-12-32)15-16-39-19-17-21(29)23-22(18-19)34(3)26(38)28(23)6-9-36(10-7-28)27-30-24-20(25(37)31-27)5-4-8-33(24)2/h17-18H,4-16H2,1-3H3,(H,30,31,37)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511558 (CHEMBL4441668) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCN(C)CC1)cc2F Show InChI InChI=1S/C28H38FN7O3/c1-32-11-13-35(14-12-32)15-16-39-19-17-21(29)23-22(18-19)34(3)26(38)28(23)6-9-36(10-7-28)27-30-24-20(25(37)31-27)5-4-8-33(24)2/h17-18H,4-16H2,1-3H3,(H,30,31,37)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair