Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50536393'   

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))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	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 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))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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