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Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 8328   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241720
PNG
(US9409917, 17 | US9409917, 18)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22)
PDB

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n/an/a 1.30n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241779
PNG
(US9409917, 104 | US9409917, 105 | US9409917, 76 | ...)
Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)
PDB

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n/an/a 1.30n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241725
PNG
(US9409917, 22)
Show SMILES CCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-2-10-6-11(18)7-15(19)13(10)8-21-16(22)14-9-23-17-12(14)4-3-5-20-17/h3-7,14H,2,8-9H2,1H3,(H,21,22)
PDB

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n/an/a 1.5n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241720
PNG
(US9409917, 17 | US9409917, 18)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22)
PDB

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n/an/a 1.60n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241706
PNG
(US9409917, 3 | US9409917, 4 | US9409917, 96 | US94...)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-14(18)12(9)7-20-15(21)13-8-22-16-11(13)3-2-4-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)
PDB

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n/an/a 1.80n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241706
PNG
(US9409917, 3 | US9409917, 4 | US9409917, 96 | US94...)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-14(18)12(9)7-20-15(21)13-8-22-16-11(13)3-2-4-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)
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n/an/a 2.70n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241727
PNG
(US9409917, 24 | US9409917, 25)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(14(18)5-10)6-20-15(22)13-8-23-16-11(13)2-1-3-19-16/h1-5,13,21H,6-8H2,(H,20,22)
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n/an/a 2.70n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241743
PNG
(US9409917, 40)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCOc3ncccc23)c1Cl
Show InChI InChI=1S/C17H14ClF3N2O2/c18-14-10(3-1-5-13(14)17(19,20)21)9-23-15(24)11-6-8-25-16-12(11)4-2-7-22-16/h1-5,7,11H,6,8-9H2,(H,23,24)
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n/an/a 2.70n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241706
PNG
(US9409917, 3 | US9409917, 4 | US9409917, 96 | US94...)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-14(18)12(9)7-20-15(21)13-8-22-16-11(13)3-2-4-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)
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n/an/a 2.90n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241715
PNG
(US9409917, 12)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1(F)CCOc2ncccc12
Show InChI InChI=1S/C17H15Cl2FN2O2/c1-10-7-11(18)8-14(19)12(10)9-22-16(23)17(20)4-6-24-15-13(17)3-2-5-21-15/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)
PDB

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n/an/a 3.10n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241782
PNG
(US9409917, 79 | US9409917, 80)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncccc23)c(Br)c1
Show InChI InChI=1S/C15H11BrCl2N2O2/c16-12-4-8(17)5-13(18)10(12)6-20-14(21)11-7-22-15-9(11)2-1-3-19-15/h1-5,11H,6-7H2,(H,20,21)
PDB

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n/an/a 4.10n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241779
PNG
(US9409917, 104 | US9409917, 105 | US9409917, 76 | ...)
Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)
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n/an/a 4.70n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241714
PNG
(US9409917, 11)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1(F)COc2ncccc12
Show InChI InChI=1S/C16H13Cl2FN2O2/c1-9-5-10(17)6-13(18)11(9)7-21-15(22)16(19)8-23-14-12(16)3-2-4-20-14/h2-6H,7-8H2,1H3,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241804
PNG
(US9409917, 101 | US9409917, 102 | US9409917, 109 |...)
Show SMILES Clc1cccc2CCC(NC(=O)C3COc4ncccc34)c12
Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)
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n/an/a 5.5n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241754
PNG
(US9409917, 51)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O3/c18-11-6-10(9-22)14(15(19)7-11)8-21-16(23)12-3-5-24-17-13(12)2-1-4-20-17/h1-2,4,6-7,12,22H,3,5,8-9H2,(H,21,23)
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n/an/a 5.60n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241722
PNG
(US9409917, 19)
Show SMILES Clc1ccc(cn1)C1(CNC(=O)C2CCOc3ncccc23)CCCCC1
Show InChI InChI=1S/C21H24ClN3O2/c22-18-7-6-15(13-24-18)21(9-2-1-3-10-21)14-25-19(26)16-8-12-27-20-17(16)5-4-11-23-20/h4-7,11,13,16H,1-3,8-10,12,14H2,(H,25,26)
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n/an/a 6.30n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241770
PNG
(US9409917, 67)
Show SMILES FC1(F)CCC(CNC(=O)C2CCOc3ncccc23)(CC1)c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClF2N3O2/c22-17-4-3-14(12-26-17)20(6-8-21(23,24)9-7-20)13-27-18(28)15-5-11-29-19-16(15)2-1-10-25-19/h1-4,10,12,15H,5-9,11,13H2,(H,27,28)
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n/an/a 7.30n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241814
PNG
(US9409917, 111 | US9409917, 112)
Show SMILES Clc1cccc2CCC[C@@H](NC(=O)C3COc4ncccc34)c12
Show InChI InChI=1S/C18H17ClN2O2/c19-14-7-1-4-11-5-2-8-15(16(11)14)21-17(22)13-10-23-18-12(13)6-3-9-20-18/h1,3-4,6-7,9,13,15H,2,5,8,10H2,(H,21,22)/t13?,15-/m1/s1
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n/an/a 9.5n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241779
PNG
(US9409917, 104 | US9409917, 105 | US9409917, 76 | ...)
Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241737
PNG
(US9409917, 34)
Show SMILES Clc1cccc(CNC(=O)C2CCOc3ncccc23)c1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c17-13-5-1-3-10(14(13)18)9-20-15(21)11-6-8-22-16-12(11)4-2-7-19-16/h1-5,7,11H,6,8-9H2,(H,20,21)
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n/an/a 10.7n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241804
PNG
(US9409917, 101 | US9409917, 102 | US9409917, 109 |...)
Show SMILES Clc1cccc2CCC(NC(=O)C3COc4ncccc34)c12
Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)
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n/an/a 11n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241796
PNG
(US9409917, 93)
Show SMILES OCCOCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C18H18Cl2N2O4/c19-12-6-11(9-25-5-4-23)14(16(20)7-12)8-22-17(24)15-10-26-18-13(15)2-1-3-21-18/h1-3,6-7,15,23H,4-5,8-10H2,(H,22,24)
PDB

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n/an/a 11.4n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241742
PNG
(US9409917, 39)
Show SMILES Clc1ccc(CNC(=O)C2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(14(18)8-11)9-20-15(21)12-5-7-22-16-13(12)2-1-6-19-16/h1-4,6,8,12H,5,7,9H2,(H,20,21)
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n/an/a 11.8n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241726
PNG
(US9409917, 23)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncccc23)c(C=C)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c1-2-10-6-11(18)7-15(19)13(10)8-21-16(22)14-9-23-17-12(14)4-3-5-20-17/h2-7,14H,1,8-9H2,(H,21,22)
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n/an/a 12.2n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241817
PNG
(US9409917, 114)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C15H11Cl3N2O2/c16-8-4-12(17)10(13(18)5-8)6-20-14(21)11-7-22-15-9(11)2-1-3-19-15/h1-5,11H,6-7H2,(H,20,21)
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n/an/a 12.5n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241719
PNG
(US9409917, 16)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-13-9(3-1-5-12(13)16(18,19)20)7-22-14(23)11-8-24-15-10(11)4-2-6-21-15/h1-6,11H,7-8H2,(H,22,23)
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n/an/a 12.6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241724
PNG
(US9409917, 21)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncccc23)c(c1)C1CC1
Show InChI InChI=1S/C18H16Cl2N2O2/c19-11-6-13(10-3-4-10)14(16(20)7-11)8-22-17(23)15-9-24-18-12(15)2-1-5-21-18/h1-2,5-7,10,15H,3-4,8-9H2,(H,22,23)
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n/an/a 12.9n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241771
PNG
(US9409917, 68)
Show SMILES FC(F)(F)c1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H11Cl2F3N2O2/c17-8-4-12(16(19,20)21)10(13(18)5-8)6-23-14(24)11-7-25-15-9(11)2-1-3-22-15/h1-5,11H,6-7H2,(H,23,24)
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n/an/a 13.8n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241775
PNG
(US9409917, 72)
Show SMILES COCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O3/c1-23-8-10-5-11(18)6-15(19)13(10)7-21-16(22)14-9-24-17-12(14)3-2-4-20-17/h2-6,14H,7-9H2,1H3,(H,21,22)
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n/an/a 14.6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241734
PNG
(US9409917, 31)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C1CCOc2ncccc12
Show InChI InChI=1S/C17H17ClN2O2/c1-11-12(4-2-6-15(11)18)10-20-16(21)13-7-9-22-17-14(13)5-3-8-19-17/h2-6,8,13H,7,9-10H2,1H3,(H,20,21)
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n/an/a 16n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241744
PNG
(US9409917, 41)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2c1ccc[n+]2[O-]
Show InChI InChI=1S/C17H16Cl2N2O3/c1-10-7-11(18)8-15(19)14(10)9-20-16(22)12-4-6-24-17-13(12)3-2-5-21(17)23/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,20,22)
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n/an/a 16.3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241706
PNG
(US9409917, 3 | US9409917, 4 | US9409917, 96 | US94...)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-14(18)12(9)7-20-15(21)13-8-22-16-11(13)3-2-4-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)
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n/an/a 18.3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241706
PNG
(US9409917, 3 | US9409917, 4 | US9409917, 96 | US94...)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-14(18)12(9)7-20-15(21)13-8-22-16-11(13)3-2-4-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)
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n/an/a 20n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241776
PNG
(US9409917, 73)
Show SMILES FC(F)(F)c1c(Cl)cccc1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H12ClF3N2O2/c17-12-5-1-3-9(13(12)16(18,19)20)7-22-14(23)11-8-24-15-10(11)4-2-6-21-15/h1-6,11H,7-8H2,(H,22,23)
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n/an/a 20.2n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241779
PNG
(US9409917, 104 | US9409917, 105 | US9409917, 76 | ...)
Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)
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n/an/a 20.6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241762
PNG
(US9409917, 59 | US9409917, 60 | US9409917, 81 | US...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)C1COc2ncccc12)N1CCOCC1
Show InChI InChI=1S/C19H20F3N5O3/c20-19(21,22)18-25-8-12(9-26-18)15(27-4-6-29-7-5-27)10-24-16(28)14-11-30-17-13(14)2-1-3-23-17/h1-3,8-9,14-15H,4-7,10-11H2,(H,24,28)
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n/an/a 20.8n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241735
PNG
(US9409917, 32)
Show SMILES Fc1ccc(CNC(=O)C2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14ClFN2O2/c17-14-8-11(18)4-3-10(14)9-20-15(21)12-5-7-22-16-13(12)2-1-6-19-16/h1-4,6,8,12H,5,7,9H2,(H,20,21)
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n/an/a 25n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241729
PNG
(US9409917, 26)
Show SMILES COc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O3/c1-22-14-6-9(17)5-13(18)11(14)7-20-15(21)12-8-23-16-10(12)3-2-4-19-16/h2-6,12H,7-8H2,1H3,(H,20,21)
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n/an/a 25.6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241757
PNG
(US9409917, 54)
Show SMILES O=C(NCC1(CCCCC1)c1ccccc1)C1CCOc2ncccc12
Show InChI InChI=1S/C22H26N2O2/c25-20(18-11-15-26-21-19(18)10-7-14-23-21)24-16-22(12-5-2-6-13-22)17-8-3-1-4-9-17/h1,3-4,7-10,14,18H,2,5-6,11-13,15-16H2,(H,24,25)
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n/an/a 25.8n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241762
PNG
(US9409917, 59 | US9409917, 60 | US9409917, 81 | US...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)C1COc2ncccc12)N1CCOCC1
Show InChI InChI=1S/C19H20F3N5O3/c20-19(21,22)18-25-8-12(9-26-18)15(27-4-6-29-7-5-27)10-24-16(28)14-11-30-17-13(14)2-1-3-23-17/h1-3,8-9,14-15H,4-7,10-11H2,(H,24,28)
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n/an/a 29n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241777
PNG
(US9409917, 74 | US9409917, 75)
Show SMILES FC1(F)CCN(CC1)C(CNC(=O)C1COc2ncccc12)c1ccc(Cl)nc1
Show InChI InChI=1S/C20H21ClF2N4O2/c21-17-4-3-13(10-25-17)16(27-8-5-20(22,23)6-9-27)11-26-18(28)15-12-29-19-14(15)2-1-7-24-19/h1-4,7,10,15-16H,5-6,8-9,11-12H2,(H,26,28)
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n/an/a 35.3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241818
PNG
(US9409917, 115)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2c1ccc[n+]2[O-]
Show InChI InChI=1S/C16H14Cl2N2O3/c1-9-5-10(17)6-14(18)12(9)7-19-15(21)13-8-23-16-11(13)3-2-4-20(16)22/h2-6,13H,7-8H2,1H3,(H,19,21)
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n/an/a 35.4n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241816
PNG
(US9409917, 113)
Show SMILES Brc1cccc2CCC(NC(=O)C3COc4ncccc34)c12
Show InChI InChI=1S/C17H15BrN2O2/c18-13-5-1-3-10-6-7-14(15(10)13)20-16(21)12-9-22-17-11(12)4-2-8-19-17/h1-5,8,12,14H,6-7,9H2,(H,20,21)
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n/an/a 35.9n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241773
PNG
(US9409917, 70 | US9409917, 71)
Show SMILES C[C@@H](NC(=O)C1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-14(11)18)20-15(21)13-8-22-16-12(13)3-2-6-19-16/h2-7,9,13H,8H2,1H3,(H,20,21)/t9-,13?/m1/s1
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UniChem
US Patent
n/an/a 36.5n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241748
PNG
(US9409917, 45)
Show SMILES Clc1cccc(CNC(=O)C2COc3ncccc23)c1Cl
Show InChI InChI=1S/C15H12Cl2N2O2/c16-12-5-1-3-9(13(12)17)7-19-14(20)11-8-21-15-10(11)4-2-6-18-15/h1-6,11H,7-8H2,(H,19,20)
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 37.2n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241727
PNG
(US9409917, 24 | US9409917, 25)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(14(18)5-10)6-20-15(22)13-8-23-16-11(13)2-1-3-19-16/h1-5,13,21H,6-8H2,(H,20,22)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39.4n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241758
PNG
(US9409917, 55)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2(F)COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H11ClF4N2O2/c17-12-9(3-1-4-10(12)16(19,20)21)7-23-14(24)15(18)8-25-13-11(15)5-2-6-22-13/h1-6H,7-8H2,(H,23,24)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 41.6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241745
PNG
(US9409917, 42)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H15ClN2O2/c1-10-11(4-2-6-14(10)17)8-19-15(20)13-9-21-16-12(13)5-3-7-18-16/h2-7,13H,8-9H2,1H3,(H,19,20)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46.9n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241765
PNG
(US9409917, 62)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)C1COc2ncccc12)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H20F5N5O2/c21-19(22)3-6-30(7-4-19)15(12-8-28-18(29-9-12)20(23,24)25)10-27-16(31)14-11-32-17-13(14)2-1-5-26-17/h1-2,5,8-9,14-15H,3-4,6-7,10-11H2,(H,27,31)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46.9n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241782
PNG
(US9409917, 79 | US9409917, 80)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncccc23)c(Br)c1
Show InChI InChI=1S/C15H11BrCl2N2O2/c16-12-4-8(17)5-13(18)10(12)6-20-14(21)11-7-22-15-9(11)2-1-3-19-15/h1-5,11H,6-7H2,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51.1n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
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