Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50536367'   

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))	BDBM50536367 (CHEMBL4560935) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C30H26ClF3N4O5S/c1-35-28(39)20-3-2-4-24(15-20)44(41,42)43-23-8-5-19(6-9-23)27-17-36-18-38(27)22-11-13-37(14-12-22)29(40)21-7-10-26(31)25(16-21)30(32,33)34/h2-10,15-18,22H,11-14H2,1H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	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 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))	BDBM50536367 (CHEMBL4560935) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C30H26ClF3N4O5S/c1-35-28(39)20-3-2-4-24(15-20)44(41,42)43-23-8-5-19(6-9-23)27-17-36-18-38(27)22-11-13-37(14-12-22)29(40)21-7-10-26(31)25(16-21)30(32,33)34/h2-10,15-18,22H,11-14H2,1H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	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