Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM173678'   

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))	BDBM173678 (US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)...) Show SMILES COc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1C Show InChI InChI=1S/C22H23F5N2O2/c1-14-16(4-3-5-17(14)31-2)19(30)29-13-20(8-10-21(23,24)11-9-20)15-6-7-18(28-12-15)22(25,26)27/h3-7,12H,8-11,13H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	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))	BDBM173678 (US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)...) Show SMILES COc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1C Show InChI InChI=1S/C22H23F5N2O2/c1-14-16(4-3-5-17(14)31-2)19(30)29-13-20(8-10-21(23,24)11-9-20)15-6-7-18(28-12-15)22(25,26)27/h3-7,12H,8-11,13H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	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