Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM50379720'   

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 3 (Homo sapiens (Human))	BDBM50379720 (CHEMBL2010928) Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCOCC2)C1=O Show InChI InChI=1S/C26H29N5O2/c1-18(2)31-17-21-23(25(31)32)28-26(30-13-15-33-16-14-30)29-24(21)27-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by...				Bioorg Med Chem Lett 22: 2565-71 (2012) Article DOI: 10.1016/j.bmcl.2012.01.124 BindingDB Entry DOI: 10.7270/Q29W0GGF
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