Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50374473'   

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))	BDBM50374473 (CHEMBL257635) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 |w:7.7| Show InChI InChI=1S/C29H28N6O/c1-21-9-5-7-13-25(21)33-29(32-20-30)34-15-16-35(27(19-34)22-10-3-2-4-11-22)28(36)17-23-18-31-26-14-8-6-12-24(23)26/h2-14,18,27,31H,15-17,19H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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))	BDBM50374473 (CHEMBL257635) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 |w:7.7| Show InChI InChI=1S/C29H28N6O/c1-21-9-5-7-13-25(21)33-29(32-20-30)34-15-16-35(27(19-34)22-10-3-2-4-11-22)28(36)17-23-18-31-26-14-8-6-12-24(23)26/h2-14,18,27,31H,15-17,19H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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