Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50536406'   

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))	BDBM50536406 (CHEMBL4573595) Show SMILES CC(C)(O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N4O5S/c1-33(2,39)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-35-21-30(37)23-8-12-28(13-9-23)42-43(40,41)31-5-3-4-25-20-34-17-14-29(25)31/h3-14,17,20-22,27,39H,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536406 (CHEMBL4573595) Show SMILES CC(C)(O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N4O5S/c1-33(2,39)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-35-21-30(37)23-8-12-28(13-9-23)42-43(40,41)31-5-3-4-25-20-34-17-14-29(25)31/h3-14,17,20-22,27,39H,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair