Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50359206'   

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))	BDBM50359206 (CHEMBL1923301) Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(cc3)-c3ccccc3)n2Cc2cccc(F)c2)C1=O)C(C)C |r,t:3| Show InChI InChI=1S/C31H30FN5O/c1-4-35-30(38)27-29(37-19-26(20(2)3)33-31(35)37)36(18-21-9-8-12-25(32)17-21)28(34-27)24-15-13-23(14-16-24)22-10-6-5-7-11-22/h5-17,20,26H,4,18-19H2,1-3H3/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	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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