Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM398200'   

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))	BDBM398200 (4-chloro-N-((3-ethyl-1-hydroxycyclohexyl)methyl)-1...) Show SMILES CCC1CCCC(O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C23H31ClN2O3/c1-2-16-6-4-10-23(28,12-16)15-25-22(27)18-14-26(13-17-7-5-11-29-17)20-9-3-8-19(24)21(18)20/h3,8-9,14,16-17,28H,2,4-7,10-13,15H2,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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))	BDBM398200 (4-chloro-N-((3-ethyl-1-hydroxycyclohexyl)methyl)-1...) Show SMILES CCC1CCCC(O)(CNC(=O)c2cn(CC3CCCO3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C23H31ClN2O3/c1-2-16-6-4-10-23(28,12-16)15-25-22(27)18-14-26(13-17-7-5-11-29-17)20-9-3-8-19(24)21(18)20/h3,8-9,14,16-17,28H,2,4-7,10-13,15H2,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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