Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM174805'   

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))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321N1 cells were collected and frozen @-80.degree. C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...				US Patent US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	37	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	338	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US9540388 (2017) BindingDB Entry DOI: 10.7270/Q20V8B0D
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.5	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.5	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	338	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM174805 (US10053462, 36 | US9102686, 36 | US9540388, 36) Show SMILES FC(F)(F)c1nccc(C(=O)N2[C@@H]3CCC[C@H]2c2nnc(-c4cccs4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.14.15| Show InChI InChI=1S/C19H15ClF3N5OS/c20-14-11(6-7-24-15(14)19(21,22)23)18(29)28-10-3-1-4-12(28)16-25-26-17(27(16)9-10)13-5-2-8-30-13/h2,5-8,10,12H,1,3-4,9H2/t10-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	338	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Me...				US Patent US9102686 (2015) BindingDB Entry DOI: 10.7270/Q22V2DXP
					More data for this Ligand-Target Pair