Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM245182'   

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))	BDBM245182 (US9550763, Compound I-217) Show SMILES NC(=O)c1cccc(Oc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NC3CCOCC3)cc2)n1 Show InChI InChI=1S/C29H27ClN6O5/c30-19-6-4-18(5-7-19)16-36-17-23(27(38)32-21-12-14-40-15-13-21)28(39)35-29(36)33-20-8-10-22(11-9-20)41-25-3-1-2-24(34-25)26(31)37/h1-11,17,21H,12-16H2,(H2,31,37)(H,32,38)(H,33,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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 US9550763 (2017) BindingDB Entry DOI: 10.7270/Q2V126TQ
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