Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50414331'   

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))	BDBM50414331 (CHEMBL551377) Show SMILES CNCC(O)Cc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:18:17:20.19.24:22,24:19:26:23.22.25,24:23:26:20.19.18,16:17:20.19.24:22,THB:18:19:22:26.17.25,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22| Show InChI InChI=1S/C22H31ClN2O2/c1-24-12-18(26)7-14-2-3-20(23)19(8-14)21(27)25-13-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,8,15-18,24,26H,4-7,9-13H2,1H3,(H,25,27)	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 inhibition of BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair