Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50374469'   

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))	BDBM50374469 (CHEMBL255784) Show SMILES COc1ccc(CCCC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:27.29| Show InChI InChI=1S/C31H35N5O3/c1-23-10-7-8-14-26(23)34-31(33-22-32)35-18-19-36(27(21-35)25-12-5-4-6-13-25)30(37)15-9-11-24-16-17-28(38-2)29(20-24)39-3/h4-8,10,12-14,16-17,20,27H,9,11,15,18-19,21H2,1-3H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50374469 (CHEMBL255784) Show SMILES COc1ccc(CCCC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:27.29| Show InChI InChI=1S/C31H35N5O3/c1-23-10-7-8-14-26(23)34-31(33-22-32)35-18-19-36(27(21-35)25-12-5-4-6-13-25)30(37)15-9-11-24-16-17-28(38-2)29(20-24)39-3/h4-8,10,12-14,16-17,20,27H,9,11,15,18-19,21H2,1-3H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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