Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 1' and Ligand = 'BDBM50369524'   

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 1 (Bos taurus)	BDBM50369524 (CHEMBL607720) Show SMILES CCCCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H28N5O13P3S/c1-2-3-4-5-6-38-16-20-10-13(17)18-8-19-14(10)21(16)15-12(23)11(22)9(32-15)7-31-36(27,28)34-37(29,30)33-35(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.				J Med Chem 43: 2239-47 (2000) BindingDB Entry DOI: 10.7270/Q2V40VX6
					More data for this Ligand-Target Pair