Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50302788'   

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))	BDBM50302788 ((R)-(4-(4-bromobenzyl)-8-oxo-2-phenethyl-2,4,5,6,7...) Show SMILES Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(Br)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12 |r| Show InChI InChI=1S/C32H30BrN5O3/c1-36-19-27(26-9-5-6-10-28(26)36)32(40)41-21-25-18-37(17-23-11-13-24(33)14-12-23)29-20-38(35-30(29)31(39)34-25)16-15-22-7-3-2-4-8-22/h2-14,19-20,25H,15-18,21H2,1H3,(H,34,39)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science& Technology Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation at 10 ...				Bioorg Med Chem Lett 19: 6053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.053 BindingDB Entry DOI: 10.7270/Q2XS5VF0
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