Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 4' and Ligand = 'BDBM50268876'   

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
P2Y purinoceptor 4 (Homo sapiens (Human))	BDBM50268876 (CHEMBL509572 | Disodium 1-amino-4-[4-(4-chloro-6-m...) Show SMILES COc1nc(Cl)nc(Nc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2S([O-])(=O)=O)n1 Show InChI InChI=1S/C24H17ClN6O9S2/c1-40-24-30-22(25)29-23(31-24)28-13-7-6-10(8-15(13)41(34,35)36)27-14-9-16(42(37,38)39)19(26)18-17(14)20(32)11-4-2-3-5-12(11)21(18)33/h2-9,27H,26H2,1H3,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity against human P2Y4 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay				J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG
					More data for this Ligand-Target Pair