Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50414301'   

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))	BDBM50414301 (CHEMBL563152) Show SMILES Cc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCC(C)(C)C1 Show InChI InChI=1S/C22H27ClN2O2/c1-15-5-8-19(24-12-15)16-6-7-18(23)17(11-16)20(26)25-14-22(27)10-4-9-21(2,3)13-22/h5-8,11-12,27H,4,9-10,13-14H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 effect on BzATP-induced Yo-Pro uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
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