Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50414308'   

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 7 (Homo sapiens (Human))	BDBM50414308 (CHEMBL563569) Show SMILES FC(F)(F)c1cc(CC(=O)Nc2cccc3c2ccn(C2CCNC2)c3=O)ccc1Cl Show InChI InChI=1S/C22H19ClF3N3O2/c23-18-5-4-13(10-17(18)22(24,25)26)11-20(30)28-19-3-1-2-16-15(19)7-9-29(21(16)31)14-6-8-27-12-14/h1-5,7,9-10,14,27H,6,8,11-12H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
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