Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50359227'   

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))	BDBM50359227 (CHEMBL1923322) Show SMILES CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(nc3)-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O |t:3| Show InChI InChI=1S/C29H25F3N6O/c1-4-36-27(39)24-26(38-16-29(2,3)35-28(36)38)37(15-17-5-11-21(31)22(32)13-17)25(34-24)19-8-12-23(33-14-19)18-6-9-20(30)10-7-18/h5-14H,4,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL1-beta production treated 30 mins be...				Bioorg Med Chem Lett 21: 7287-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.037 BindingDB Entry DOI: 10.7270/Q2DV1K8Z
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