Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 46 entry = 50037061   

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
P2X purinoceptor 2 (RAT)	BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H26N5O7PS/c1-2-3-4-5-6-30-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(28-15)7-27-29(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X4) at 30 uM,expressed in Xenopus oocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (RAT)	BDBM50118226 (CHEMBL337062 | PAPET-ATP) Show SMILES Nc1ccc(CCSc2nc(N)c3ncn([C@@H]4O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]4O)c3n2)cc1 Show InChI InChI=1S/C18H25N6O13P3S/c19-10-3-1-9(2-4-10)5-6-41-18-22-15(20)12-16(23-18)24(8-21-12)17-14(26)13(25)11(35-17)7-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-4,8,11,13-14,17,25-26H,5-7,19H2,(H,30,31)(H,32,33)(H2,20,22,23)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X4) at 30 uM,expressed in Xenopus oocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair