Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM173828'   

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))	BDBM173828 (US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[2-...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H14ClF4N3O/c21-17-4-2-1-3-15(17)18(29)26-11-16(12-5-7-14(22)8-6-12)13-9-27-19(28-10-13)20(23,24)25/h1-10,16H,11H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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))	BDBM173828 (US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[2-...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H14ClF4N3O/c21-17-4-2-1-3-15(17)18(29)26-11-16(12-5-7-14(22)8-6-12)13-9-27-19(28-10-13)20(23,24)25/h1-10,16H,11H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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))	BDBM173828 (US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[2-...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H14ClF4N3O/c21-17-4-2-1-3-15(17)18(29)26-11-16(12-5-7-14(22)8-6-12)13-9-27-19(28-10-13)20(23,24)25/h1-10,16H,11H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	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))	BDBM173828 (US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[2-...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C(F)(F)F Show InChI InChI=1S/C20H14ClF4N3O/c21-17-4-2-1-3-15(17)18(29)26-11-16(12-5-7-14(22)8-6-12)13-9-27-19(28-10-13)20(23,24)25/h1-10,16H,11H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	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