Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50344928'   

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))	BDBM50344928 ((R)-7-cyclopropyl-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)C1CC1 |r,t:3| Show InChI InChI=1S/C25H22F3N5O/c1-2-31-24(34)21-23(33-13-20(15-4-5-15)29-25(31)33)32(12-14-3-10-18(27)19(28)11-14)22(30-21)16-6-8-17(26)9-7-16/h3,6-11,15,20H,2,4-5,12-13H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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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