Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM174822'   

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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	3.10	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	131	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	3.86E+3	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	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)	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.6	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.6	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	131	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))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	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 US10053462 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DSF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	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 (Rattus norvegicus (Rat))	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.86E+3	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)	BDBM174822 (US10053462, 53 | US9102686, 53 | US9540388, 53) Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 |r,TLB:11:13:16.15:18.28.27| Show InChI InChI=1S/C19H16F3N5OS/c1-10-12(3-2-4-13(10)19(20,21)22)18(28)27-11-5-6-15(27)17-25-24-16(26(17)7-11)14-8-29-9-23-14/h2-4,8-9,11,15H,5-7H2,1H3/t11-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.86E+3	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