Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM50413402'   

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)	BDBM50413402 (CHEMBL492969) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C1=NCCN1 |t:22| Show InChI InChI=1S/C17H22N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h6-9H,4-5H2,1-3H3,(H,20,21)(H4,18,19,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 1628-31 (2009) Article DOI: 10.1016/j.bmcl.2009.02.003 BindingDB Entry DOI: 10.7270/Q29023NX
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