Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM196325'   

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))	BDBM196325 (US9212130, I-245) Show SMILES Fc1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)25(34-26(36)19-9-11-38-12-10-19)16-32-28(35)33-22-5-7-23(8-6-22)39-24-13-21(30)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9212130 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MS2
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