Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 1' and Ligand = 'BDBM50446069'   

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 1 (Homo sapiens (Human))	BDBM50446069 (CHEMBL3103372) Show SMILES O=C(N1CCCC1)N1c2ccccc2C=Cc2ccccc12 |c:16| Show InChI InChI=1S/C19H18N2O/c22-19(20-13-5-6-14-20)21-17-9-3-1-7-15(17)11-12-16-8-2-4-10-18(16)21/h1-4,7-12H,5-6,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.88E+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 P2X1 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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