Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50544701'   

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))	BDBM50544701 (CHEMBL4632746) Show SMILES Clc1ccc(CNC(=O)[C@@H]2C\C(=C/N3CCOCC3)C(=O)N2)c(Cl)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O3/c18-13-2-1-11(14(19)8-13)9-20-17(24)15-7-12(16(23)21-15)10-22-3-5-25-6-4-22/h1-2,8,10,15H,3-7,9H2,(H,20,24)(H,21,23)/b12-10+/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...				J Med Chem 63: 2074-2094 (2020) Article DOI: 10.1021/acs.jmedchem.9b00584 BindingDB Entry DOI: 10.7270/Q2251NR2
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