Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50075455'   

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))	BDBM50075455 (CHEMBL3415331) Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:4:5:2.3.9:10,9:8:6:2.3.4,THB:9:3:6:8.10.7| Show InChI InChI=1S/C35H37BrN4O6S/c36-35-18-23-14-24(19-35)17-34(16-23,21-35)32(42)39-12-9-26(10-13-39)40-29(31(41)38-33(40)43)15-22-4-6-27(7-5-22)46-47(44,45)30-3-1-2-25-20-37-11-8-28(25)30/h1-8,11,20,23-24,26,29H,9-10,12-19,21H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	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))	BDBM50075455 (CHEMBL3415331) Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:4:5:2.3.9:10,9:8:6:2.3.4,THB:9:3:6:8.10.7| Show InChI InChI=1S/C35H37BrN4O6S/c36-35-18-23-14-24(19-35)17-34(16-23,21-35)32(42)39-12-9-26(10-13-39)40-29(31(41)38-33(40)43)15-22-4-6-27(7-5-22)46-47(44,45)30-3-1-2-25-20-37-11-8-28(25)30/h1-8,11,20,23-24,26,29H,9-10,12-19,21H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	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