Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50386572'   

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))	BDBM50386572 (CHEMBL2048286) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1CCCCCC1 Show InChI InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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 human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386572 (CHEMBL2048286) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1CCCCCC1 Show InChI InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 ethidium bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair