Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50075458'   

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))	BDBM50075458 (CHEMBL3415334) Show SMILES O=C(CC1CC2CCC1C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C33H36N4O6S/c38-31(19-25-17-22-4-7-23(25)16-22)36-14-11-26(12-15-36)37-29(32(39)35-33(37)40)18-21-5-8-27(9-6-21)43-44(41,42)30-3-1-2-24-20-34-13-10-28(24)30/h1-3,5-6,8-10,13,20,22-23,25-26,29H,4,7,11-12,14-19H2,(H,35,39,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075458 (CHEMBL3415334) Show SMILES O=C(CC1CC2CCC1C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C33H36N4O6S/c38-31(19-25-17-22-4-7-23(25)16-22)36-14-11-26(12-15-36)37-29(32(39)35-33(37)40)18-21-5-8-27(9-6-21)43-44(41,42)30-3-1-2-24-20-34-13-10-28(24)30/h1-3,5-6,8-10,13,20,22-23,25-26,29H,4,7,11-12,14-19H2,(H,35,39,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair