Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50344903'   

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))	BDBM50344903 ((R)-1-(3,4-difluorobenzyl)-2-(6-(3,3-difluoropiper...) Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCCC(F)(F)C3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3| Show InChI InChI=1S/C30H31F4N7O2/c1-4-39-28(43)24-26(41-15-23(17(2)3)36-29(39)41)40(14-18-6-8-20(31)21(32)12-18)25(37-24)19-7-9-22(35-13-19)27(42)38-11-5-10-30(33,34)16-38/h6-9,12-13,17,23H,4-5,10-11,14-16H2,1-3H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	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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