Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50359221'   

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))	BDBM50359221 (CHEMBL1923316) Show SMILES CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(nc3)-c3cccc(C)c3)n2Cc2ccc(F)c(F)c2)C1=O |t:3| Show InChI InChI=1S/C30H28F2N6O/c1-5-36-28(39)25-27(38-17-30(3,4)35-29(36)38)37(16-19-9-11-22(31)23(32)14-19)26(34-25)21-10-12-24(33-15-21)20-8-6-7-18(2)13-20/h6-15H,5,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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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