Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50344918'   

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))	BDBM50344918 ((R)-4-(1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-...) Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(cc3)C#N)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3| Show InChI InChI=1S/C26H24F2N6O/c1-4-32-25(35)22-24(34-14-21(15(2)3)30-26(32)34)33(13-17-7-10-19(27)20(28)11-17)23(31-22)18-8-5-16(12-29)6-9-18/h5-11,15,21H,4,13-14H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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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