Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50374466'   

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))	BDBM50374466 (CHEMBL257216) Show SMILES COc1ccc(CC(=O)N2C(C)CN(CC2C)C(NC#N)=Nc2ccccc2C)cc1OC |w:21.22| Show InChI InChI=1S/C25H31N5O3/c1-17-8-6-7-9-21(17)28-25(27-16-26)29-14-18(2)30(19(3)15-29)24(31)13-20-10-11-22(32-4)23(12-20)33-5/h6-12,18-19H,13-15H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50374466 (CHEMBL257216) Show SMILES COc1ccc(CC(=O)N2C(C)CN(CC2C)C(NC#N)=Nc2ccccc2C)cc1OC |w:21.22| Show InChI InChI=1S/C25H31N5O3/c1-17-8-6-7-9-21(17)28-25(27-16-26)29-14-18(2)30(19(3)15-29)24(31)13-20-10-11-22(32-4)23(12-20)33-5/h6-12,18-19H,13-15H2,1-5H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair