Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM173694'   

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))	BDBM173694 (US9102591, 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyri...) Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C2CC2)CC1 Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.760	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))	BDBM173694 (US9102591, 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyri...) Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C2CC2)CC1 Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.760	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))	BDBM173694 (US9102591, 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyri...) Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C2CC2)CC1 Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium mobilization monitored for 5 min...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048 BindingDB Entry DOI: 10.7270/Q2ZC86D0
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173694 (US9102591, 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyri...) Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C2CC2)CC1 Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium mobilization monitored for 5 min...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048 BindingDB Entry DOI: 10.7270/Q2ZC86D0
					More data for this Ligand-Target Pair