Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50344929'   

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))	BDBM50344929 ((R)-7-tert-butyl-1-(3,4-difluorobenzyl)-5-ethyl-2-...) Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)(C)C |r,t:3| Show InChI InChI=1S/C26H26F3N5O/c1-5-32-24(35)21-23(34-14-20(26(2,3)4)30-25(32)34)33(13-15-6-11-18(28)19(29)12-15)22(31-21)16-7-9-17(27)10-8-16/h6-12,20H,5,13-14H2,1-4H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor by calcium flux assay				Bioorg Med Chem Lett 21: 3805-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.034 BindingDB Entry DOI: 10.7270/Q25B02SR
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