Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50075451'   

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))	BDBM50075451 (CHEMBL3415314) Show SMILES O=C(C1CCCCC1)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C31H34N4O6S/c36-29-27(35(31(38)33-29)24-14-17-34(18-15-24)30(37)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)41-42(39,40)28-8-4-7-23-20-32-16-13-26(23)28/h4,7-13,16,20,22,24,27H,1-3,5-6,14-15,17-19H2,(H,33,36,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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))	BDBM50075451 (CHEMBL3415314) Show SMILES O=C(C1CCCCC1)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C31H34N4O6S/c36-29-27(35(31(38)33-29)24-14-17-34(18-15-24)30(37)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)41-42(39,40)28-8-4-7-23-20-32-16-13-26(23)28/h4,7-13,16,20,22,24,27H,1-3,5-6,14-15,17-19H2,(H,33,36,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	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