Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM50415576'   

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 (RAT)	BDBM50415576 (CHEMBL597285) Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(Br)cc(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H25BrFN5O/c1-17(16-30-9-11-31(12-10-30)24-27-7-2-8-28-24)29-23(32)20-13-19(14-21(25)15-20)18-3-5-22(26)6-4-18/h2-8,13-15,17H,9-12,16H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Antagonist activity at rat P2X3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1031-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.044 BindingDB Entry DOI: 10.7270/Q22V2HCR
					More data for this Ligand-Target Pair