Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50414348'   

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))	BDBM50414348 (CHEMBL540946 | KN-04) Show SMILES CN(C(CN1CCN(CC1)c1ccccc1)Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H37N5O5S2/c1-41(49(44,45)37-11-5-7-30-26-39-19-17-35(30)37)33(28-42-21-23-43(24-22-42)32-9-3-2-4-10-32)25-29-13-15-34(16-14-29)48-50(46,47)38-12-6-8-31-27-40-20-18-36(31)38/h2-20,26-27,33H,21-25,28H2,1H3	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 lymphocytes assessed as inhibition of ATP-induced Ba2+ influx				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
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