Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM242050'   

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))	BDBM242050 (US9415055, (-)2-chloro-3-methoxy-N-(2-morpholino-2...) Show SMILES COc1cccc(C(=O)NCC(N2CCOCC2)c2ccc(nc2)C(F)(F)F)c1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c1-29-16-4-2-3-14(18(16)21)19(28)26-12-15(27-7-9-30-10-8-27)13-5-6-17(25-11-13)20(22,23)24/h2-6,11,15H,7-10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM242050 (US9415055, (-)2-chloro-3-methoxy-N-(2-morpholino-2...) Show SMILES COc1cccc(C(=O)NCC(N2CCOCC2)c2ccc(nc2)C(F)(F)F)c1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c1-29-16-4-2-3-14(18(16)21)19(28)26-12-15(27-7-9-30-10-8-27)13-5-6-17(25-11-13)20(22,23)24/h2-6,11,15H,7-10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM242050 (US9415055, (-)2-chloro-3-methoxy-N-(2-morpholino-2...) Show SMILES COc1cccc(C(=O)NCC(N2CCOCC2)c2ccc(nc2)C(F)(F)F)c1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c1-29-16-4-2-3-14(18(16)21)19(28)26-12-15(27-7-9-30-10-8-27)13-5-6-17(25-11-13)20(22,23)24/h2-6,11,15H,7-10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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