Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM173676'   

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))	BDBM173676 (US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...) Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1 Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	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))	BDBM173676 (US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...) Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1 Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	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))	BDBM173676 (US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...) Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1 Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	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))	BDBM173676 (US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...) Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1 Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173676 (US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...) Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1 Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	63	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))	BDBM173676 (US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...) Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1 Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	63	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