Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 2' and Ligand = 'BDBM50262312'   

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))	BDBM50262312 (2-[2-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimi...) Show SMILES CCOP(=O)(CCNC(=O)CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OCC |r| Show InChI InChI=1S/C17H27N4O10P/c1-3-29-32(28,30-4-2)8-6-18-11(23)9-19-15(26)14-12(24)13(25)16(31-14)21-7-5-10(22)20-17(21)27/h5,7,12-14,16,24-25H,3-4,6,8-9H2,1-2H3,(H,18,23)(H,19,26)(H,20,22,27)/t12-,13+,14-,16+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.16E+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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