Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50536370'   

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))	BDBM50536370 (CHEMBL4582650) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C33H35N5O5S/c1-36(2)27-12-6-24(7-13-27)33(40)37-18-16-28(17-19-37)38-22-34-21-31(38)23-8-14-29(15-9-23)43-44(41,42)30-5-3-4-25(20-30)32(39)35-26-10-11-26/h3-9,12-15,20-22,26,28H,10-11,16-19H2,1-2H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536370 (CHEMBL4582650) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C33H35N5O5S/c1-36(2)27-12-6-24(7-13-27)33(40)37-18-16-28(17-19-37)38-22-34-21-31(38)23-8-14-29(15-9-23)43-44(41,42)30-5-3-4-25(20-30)32(39)35-26-10-11-26/h3-9,12-15,20-22,26,28H,10-11,16-19H2,1-2H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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