Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 2' and Ligand = 'BDBM50048062'   

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))	BDBM50048062 (CHEMBL3314932) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H30N5O12P3S/c1-2-3-4-5-6-38-17-20-14(18)11-15(21-17)22(8-19-11)16-13(24)12(23)10(33-16)7-32-37(30,31)34-36(28,29)9-35(25,26)27/h8,10,12-13,16,23-24H,2-7,9H2,1H3,(H,28,29)(H,30,31)(H2,18,20,21)(H2,25,26,27)/t10-,12-,13-,16-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of recombinant human NTPDase2 transfected in COS-7 cells using ATP substrate				J Med Chem 57: 5919-34 (2014) Article DOI: 10.1021/jm401933c BindingDB Entry DOI: 10.7270/Q2B27WXX
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 2 (Homo sapiens (Human))	BDBM50048062 (CHEMBL3314932) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H30N5O12P3S/c1-2-3-4-5-6-38-17-20-14(18)11-15(21-17)22(8-19-11)16-13(24)12(23)10(33-16)7-32-37(30,31)34-36(28,29)9-35(25,26)27/h8,10,12-13,16,23-24H,2-7,9H2,1H3,(H,28,29)(H,30,31)(H2,18,20,21)(H2,25,26,27)/t10-,12-,13-,16-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of recombinant human NTPDase2 transfected in COS-7 cells using ATP substrate				J Med Chem 57: 5919-34 (2014) Article DOI: 10.1021/jm401933c BindingDB Entry DOI: 10.7270/Q2B27WXX
					More data for this Ligand-Target Pair