Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM398119'   

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))	BDBM398119 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES FC(F)(F)C1CCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC1 |(6.53,3.69,;5.44,4.78,;5.84,6.27,;6.93,5.18,;3.95,4.38,;3.55,2.9,;2.07,2.5,;.98,3.59,;-.51,3.19,;-.91,1.7,;-2.4,1.3,;-3.49,2.39,;-2.8,-.19,;-1.89,-1.43,;-2.8,-2.68,;-2.4,-4.17,;-3.17,-5.5,;-1.83,-6.27,;-1.06,-4.94,;-4.26,-2.2,;-5.59,-2.97,;-6.93,-2.2,;-6.93,-.66,;-5.59,.11,;-5.59,1.65,;-4.26,-.66,;1.38,5.07,;2.86,5.47,)| Show InChI InChI=1S/C20H22ClF3N2O2/c21-16-2-1-3-17-18(16)15(9-26(17)14-10-28-11-14)19(27)25-8-12-4-6-13(7-5-12)20(22,23)24/h1-3,9,12-14H,4-8,10-11H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398119 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES FC(F)(F)C1CCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC1 |(6.53,3.69,;5.44,4.78,;5.84,6.27,;6.93,5.18,;3.95,4.38,;3.55,2.9,;2.07,2.5,;.98,3.59,;-.51,3.19,;-.91,1.7,;-2.4,1.3,;-3.49,2.39,;-2.8,-.19,;-1.89,-1.43,;-2.8,-2.68,;-2.4,-4.17,;-3.17,-5.5,;-1.83,-6.27,;-1.06,-4.94,;-4.26,-2.2,;-5.59,-2.97,;-6.93,-2.2,;-6.93,-.66,;-5.59,.11,;-5.59,1.65,;-4.26,-.66,;1.38,5.07,;2.86,5.47,)| Show InChI InChI=1S/C20H22ClF3N2O2/c21-16-2-1-3-17-18(16)15(9-26(17)14-10-28-11-14)19(27)25-8-12-4-6-13(7-5-12)20(22,23)24/h1-3,9,12-14H,4-8,10-11H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair