Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50414330'   

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))	BDBM50414330 (CHEMBL563379) Show SMILES CNCC(O)c1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C21H29ClN2O2/c1-23-11-19(25)16-2-3-18(22)17(7-16)20(26)24-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15,19,23,25H,4-6,8-12H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair