Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM242166'   

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))	BDBM242166 (US9415055, (-)2-chloro-N-[2-[2-(difluoromethyl)pyr...) Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(F)c1Cl)N1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-15-12(2-1-3-13(15)20)18(27)25-10-14(26-4-6-28-7-5-26)11-8-23-17(16(21)22)24-9-11/h1-3,8-9,14,16H,4-7,10H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...				US Patent US9593105 (2017) BindingDB Entry DOI: 10.7270/Q2R49STH
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242166 (US9415055, (-)2-chloro-N-[2-[2-(difluoromethyl)pyr...) Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(F)c1Cl)N1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-15-12(2-1-3-13(15)20)18(27)25-10-14(26-4-6-28-7-5-26)11-8-23-17(16(21)22)24-9-11/h1-3,8-9,14,16H,4-7,10H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	7.4	37
H. Lundbeck A/S US Patent					Assay Description Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...				US Patent US9415055 (2016) BindingDB Entry DOI: 10.7270/Q2NC604C
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242166 (US9415055, (-)2-chloro-N-[2-[2-(difluoromethyl)pyr...) Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(F)c1Cl)N1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-15-12(2-1-3-13(15)20)18(27)25-10-14(26-4-6-28-7-5-26)11-8-23-17(16(21)22)24-9-11/h1-3,8-9,14,16H,4-7,10H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...				US Patent US9593105 (2017) BindingDB Entry DOI: 10.7270/Q2R49STH
					More data for this Ligand-Target Pair