Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 2' and Ligand = 'BDBM50262373'   

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
Ectonucleoside triphosphate diphosphohydrolase 2 (Homo sapiens (Human))	BDBM50262373 (4-[4-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-...) Show SMILES CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC |r| Show InChI InChI=1S/C25H34N7O8P/c1-3-38-41(37,39-4-2)12-15-7-9-16(10-8-15)31-17(33)6-5-11-27-24(36)21-19(34)20(35)25(40-21)32-14-30-18-22(26)28-13-29-23(18)32/h7-10,13-14,19-21,25,34-35H,3-6,11-12H2,1-2H3,(H,27,36)(H,31,33)(H2,26,28,29)/t19-,20+,21-,25+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human NTPDase 2 expressed in HEK293 cells				J Med Chem 51: 4518-28 (2008) Article DOI: 10.1021/jm800175e BindingDB Entry DOI: 10.7270/Q2XW4KQX
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