Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 1' and Ligand = 'BDBM50399175'   

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))	BDBM50399175 (CHEMBL2180171) Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt 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 P2X1 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair