Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM174819'   

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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	14	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	6.78E+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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	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)	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.8	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.8	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	n/a	14	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.4	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))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.4	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)	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.78E+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
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM174819 (US10053462, 50 | US9102686, 50 | US9540388, 50) Show SMILES Fc1cnc(nc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F |r,TLB:18:17:12.13:10.15.16| Show InChI InChI=1S/C19H13ClF4N6O/c20-14-11(2-1-3-12(14)19(22,23)24)18(31)30-10-4-5-13(30)16-27-28-17(29(16)8-10)15-25-6-9(21)7-26-15/h1-3,6-7,10,13H,4-5,8H2/t10-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.78E+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