Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM50446063'   

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 4 (Homo sapiens (Human))	BDBM50446063 (CHEMBL3103382) Show SMILES NC1CCC(CC1)NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:19,(34.96,-14.27,;34.97,-12.73,;33.64,-11.95,;33.64,-10.41,;34.99,-9.65,;36.31,-10.41,;36.3,-11.96,;34.99,-8.11,;33.65,-7.33,;32.33,-8.1,;33.66,-5.83,;32.3,-5.16,;31.17,-6.21,;29.7,-5.76,;29.35,-4.24,;30.49,-3.19,;31.96,-3.66,;32.92,-2.47,;34.46,-2.48,;35.4,-3.68,;36.86,-3.24,;37.98,-4.29,;37.63,-5.79,;36.15,-6.22,;35.04,-5.16,)| Show InChI InChI=1S/C21H23N3O/c22-17-11-13-18(14-12-17)23-21(25)24-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)24/h1-10,17-18H,11-14,22H2,(H,23,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...				Bioorg Med Chem 22: 1077-88 (2014) Article DOI: 10.1016/j.bmc.2013.12.035 BindingDB Entry DOI: 10.7270/Q21R6S09
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