Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM173826'   

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))	BDBM173826 (US9102591, (+)2,3-dichloro-N-[2-(4-fluorophenyl)-2...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H13Cl2F4N3O/c21-16-3-1-2-14(17(16)22)18(30)27-10-15(11-4-6-13(23)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9649308 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R29
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173826 (US9102591, (+)2,3-dichloro-N-[2-(4-fluorophenyl)-2...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H13Cl2F4N3O/c21-16-3-1-2-14(17(16)22)18(30)27-10-15(11-4-6-13(23)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9102591 (2015) BindingDB Entry DOI: 10.7270/Q2028Q92
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173826 (US9102591, (+)2,3-dichloro-N-[2-(4-fluorophenyl)-2...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H13Cl2F4N3O/c21-16-3-1-2-14(17(16)22)18(30)27-10-15(11-4-6-13(23)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9649308 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R29
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173826 (US9102591, (+)2,3-dichloro-N-[2-(4-fluorophenyl)-2...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H13Cl2F4N3O/c21-16-3-1-2-14(17(16)22)18(30)27-10-15(11-4-6-13(23)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9102591 (2015) BindingDB Entry DOI: 10.7270/Q2028Q92
					More data for this Ligand-Target Pair