Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM174821'   

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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	n/a	10	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	n/a	131	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	n/a	4.10E+3	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 (Rattus norvegicus (Rat))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	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 (Mus musculus)	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31.6	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31.6	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	n/a	4.10E+3	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.2	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 (Homo sapiens (Human))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.2	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 (Mus musculus)	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	131	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))	BDBM174821 (US10053462, 52 | US9102686, 52 | US9540388, 52) Show SMILES Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F |r,TLB:5:7:10.9:12.22.21| Show InChI InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	131	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