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Patent code US9388197

Compile Data Set for Download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
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))
BDBM237018
PNG
(US9388197, 20)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12
Show InChI InChI=1S/C15H14Cl2N2OS/c1-8-4-9(16)5-12(17)11(8)6-18-15(20)10-2-3-13-14(10)21-7-19-13/h4-5,7,10H,2-3,6H2,1H3,(H,18,20)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237032
PNG
(US9388197, 34)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncsc12
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-8-4-9(16)5-12(17)11(8)6-18-14(20)10-2-3-21-15-13(10)22-7-19-15/h4-5,7,10H,2-3,6H2,1H3,(H,18,20)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237039
PNG
(US9388197, 41)
Show SMILES Clc1cc2CCC(NC(=O)C3CCOc4ncsc34)c2c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-5-8-1-2-12(13(8)11(18)6-9)20-15(21)10-3-4-22-16-14(10)23-7-19-16/h5-7,10,12H,1-4H2,(H,20,21)
PDB

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PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237060
PNG
(US9388197, 62)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2ncsc12
Show InChI InChI=1S/C16H16Cl2N2OS/c1-9-5-10(17)6-13(18)12(9)7-19-16(21)11-3-2-4-14-15(11)22-8-20-14/h5-6,8,11H,2-4,7H2,1H3,(H,19,21)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237065
PNG
(US9388197, 67)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCCc3ncsc23)c1Cl
Show InChI InChI=1S/C16H14ClF3N2OS/c17-13-9(3-1-5-11(13)16(18,19)20)7-21-15(23)10-4-2-6-12-14(10)24-8-22-12/h1,3,5,8,10H,2,4,6-7H2,(H,21,23)
PDB

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PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237063
PNG
(US9388197, 65)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2ncsc12
Show InChI InChI=1S/C16H16Cl2N2O2S/c17-10-4-9(7-21)12(13(18)5-10)6-19-16(22)11-2-1-3-14-15(11)23-8-20-14/h4-5,8,11,21H,1-3,6-7H2,(H,19,22)
PDB

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PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237025
PNG
(US9388197, 27)
Show SMILES Clc1cc2CCC(NC(=O)C3CCc4ncsc34)c2c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2OS/c17-9-5-8-1-3-12(14(8)11(18)6-9)20-16(21)10-2-4-13-15(10)22-7-19-13/h5-7,10,12H,1-4H2,(H,20,21)
PDB

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UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237072
PNG
(US9388197, 74)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCCc2ncsc12
Show InChI InChI=1S/C17H18Cl2N2OS/c1-10-6-11(18)7-14(19)13(10)8-20-17(22)12-4-2-3-5-15-16(12)23-9-21-15/h6-7,9,12H,2-5,8H2,1H3,(H,20,22)
PDB

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UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237009
PNG
(US9388197, 11)
Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncsc34)c2c(Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O2S/c16-8-3-7-1-2-11(12(7)10(17)4-8)19-14(20)9-5-21-15-13(9)22-6-18-15/h3-4,6,9,11H,1-2,5H2,(H,19,20)
PDB

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UniChem
US Patent
n/an/a 4.10n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237058
PNG
(US9388197, 60)
Show SMILES Cc1nc2CCCC(C(=O)NCc3c(C)cc(Cl)cc3Cl)c2s1
Show InChI InChI=1S/C17H18Cl2N2OS/c1-9-6-11(18)7-14(19)13(9)8-20-17(22)12-4-3-5-15-16(12)23-10(2)21-15/h6-7,12H,3-5,8H2,1-2H3,(H,20,22)
PDB

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US Patent
n/an/a 4.30n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237066
PNG
(US9388197, 68)
Show SMILES COCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2ncsc12
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-23-8-10-5-11(18)6-14(19)13(10)7-20-17(22)12-3-2-4-15-16(12)24-9-21-15/h5-6,9,12H,2-4,7-8H2,1H3,(H,20,22)
PDB

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PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237004
PNG
(US9388197, 6)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncsc12
Show InChI InChI=1S/C14H12Cl2N2O2S/c1-7-2-8(15)3-11(16)9(7)4-17-13(19)10-5-20-14-12(10)21-6-18-14/h2-3,6,10H,4-5H2,1H3,(H,17,19)
PDB

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PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237017
PNG
(US9388197, 19)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2CCc3ncsc23)c(Br)c1
Show InChI InChI=1S/C14H11BrCl2N2OS/c15-10-3-7(16)4-11(17)9(10)5-18-14(20)8-1-2-12-13(8)21-6-19-12/h3-4,6,8H,1-2,5H2,(H,18,20)
PDB

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UniChem
US Patent
n/an/a 4.5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237026
PNG
(US9388197, 28)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCc3ncsc23)c1Cl
Show InChI InChI=1S/C15H12ClF3N2OS/c16-12-8(2-1-3-10(12)15(17,18)19)6-20-14(22)9-4-5-11-13(9)23-7-21-11/h1-3,7,9H,4-6H2,(H,20,22)
PDB

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UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237057
PNG
(US9388197, 59)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2nc(N)sc12
Show InChI InChI=1S/C16H17Cl2N3OS/c1-8-5-9(17)6-12(18)11(8)7-20-15(22)10-3-2-4-13-14(10)23-16(19)21-13/h5-6,10H,2-4,7H2,1H3,(H2,19,21)(H,20,22)
PDB

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US Patent
n/an/a 4.90n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237038
PNG
(US9388197, 40)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncsc12
Show InChI InChI=1S/C15H14Cl2N2O3S/c16-9-3-8(6-20)11(12(17)4-9)5-18-14(21)10-1-2-22-15-13(10)23-7-19-15/h3-4,7,10,20H,1-2,5-6H2,(H,18,21)
PDB

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PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237023
PNG
(US9388197, 25)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-9-3-8(6-20)11(12(17)4-9)5-18-15(21)10-1-2-13-14(10)22-7-19-13/h3-4,7,10,20H,1-2,5-6H2,(H,18,21)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237054
PNG
(US9388197, 56)
Show SMILES C[C@@H](NC(=O)C1CCCc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H16Cl2N2OS/c1-9(11-6-5-10(17)7-13(11)18)20-16(21)12-3-2-4-14-15(12)22-8-19-14/h5-9,12H,2-4H2,1H3,(H,20,21)/t9-,12?/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 6.70n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237040
PNG
(US9388197, 42)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCOc3ncsc23)c1Cl
Show InChI InChI=1S/C15H12ClF3N2O2S/c16-11-8(2-1-3-10(11)15(17,18)19)6-20-13(22)9-4-5-23-14-12(9)24-7-21-14/h1-3,7,9H,4-6H2,(H,20,22)
PDB

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PC sid
UniChem
US Patent
n/an/a 6.90n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237003
PNG
(US9388197, 5)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncsc23)c(Br)c1
Show InChI InChI=1S/C13H9BrCl2N2O2S/c14-9-1-6(15)2-10(16)7(9)3-17-12(19)8-4-20-13-11(8)21-5-18-13/h1-2,5,8H,3-4H2,(H,17,19)
PDB

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PC sid
UniChem
US Patent
n/an/a 7.30n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237050
PNG
(US9388197, 52)
Show SMILES Clc1ccc(CNC(=O)C2CCCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N2OS/c16-10-5-4-9(12(17)6-10)7-18-15(20)11-2-1-3-13-14(11)21-8-19-13/h4-6,8,11H,1-3,7H2,(H,18,20)
PDB

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PC sid
UniChem
US Patent
n/an/a 7.5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237046
PNG
(US9388197, 48)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C1CCCc2ncsc12
Show InChI InChI=1S/C16H17ClN2OS/c1-10-11(4-2-6-13(10)17)8-18-16(20)12-5-3-7-14-15(12)21-9-19-14/h2,4,6,9,12H,3,5,7-8H2,1H3,(H,18,20)
PDB

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PC sid
UniChem
US Patent
n/an/a 7.5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237052
PNG
(US9388197, 54)
Show SMILES Clc1cccc(CNC(=O)C2CCCc3ncsc23)c1Cl
Show InChI InChI=1S/C15H14Cl2N2OS/c16-11-5-1-3-9(13(11)17)7-18-15(20)10-4-2-6-12-14(10)21-8-19-12/h1,3,5,8,10H,2,4,6-7H2,(H,18,20)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237015
PNG
(US9388197, 17)
Show SMILES Clc1ccc(CNC(=O)C2CCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2OS/c15-9-2-1-8(11(16)5-9)6-17-14(19)10-3-4-12-13(10)20-7-18-12/h1-2,5,7,10H,3-4,6H2,(H,17,19)
PDB

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UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


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More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237059
PNG
(US9388197, 61)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2nc(Br)sc12
Show InChI InChI=1S/C16H15BrCl2N2OS/c1-8-5-9(18)6-12(19)11(8)7-20-15(22)10-3-2-4-13-14(10)23-16(17)21-13/h5-6,10H,2-4,7H2,1H3,(H,20,22)
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n/an/a 12n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237008
PNG
(US9388197, 10)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncsc12
Show InChI InChI=1S/C14H12Cl2N2O3S/c15-8-1-7(4-19)9(11(16)2-8)3-17-13(20)10-5-21-14-12(10)22-6-18-14/h1-2,6,10,19H,3-5H2,(H,17,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237010
PNG
(US9388197, 12)
Show SMILES Clc1cc(Cl)c(CNC(=O)C2COc3ncsc23)c(c1)C1CC1
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-3-10(8-1-2-8)11(13(18)4-9)5-19-15(21)12-6-22-16-14(12)23-7-20-16/h3-4,7-8,12H,1-2,5-6H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237051
PNG
(US9388197, 53)
Show SMILES Fc1ccc(CNC(=O)C2CCCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C15H14ClFN2OS/c16-12-6-10(17)5-4-9(12)7-18-15(20)11-2-1-3-13-14(11)21-8-19-13/h4-6,8,11H,1-3,7H2,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237071
PNG
(US9388197, 73)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCCc2nc(N)sc12
Show InChI InChI=1S/C17H19Cl2N3OS/c1-9-6-10(18)7-13(19)12(9)8-21-16(23)11-4-2-3-5-14-15(11)24-17(20)22-14/h6-7,11H,2-5,8H2,1H3,(H2,20,22)(H,21,23)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237064
PNG
(US9388197, 66)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCCc3nc(Br)sc23)c1Cl
Show InChI InChI=1S/C16H13BrClF3N2OS/c17-15-23-11-6-2-4-9(13(11)25-15)14(24)22-7-8-3-1-5-10(12(8)18)16(19,20)21/h1,3,5,9H,2,4,6-7H2,(H,22,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237013
PNG
(US9388197, 15)
Show SMILES OCCOCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncsc12
Show InChI InChI=1S/C16H16Cl2N2O4S/c17-10-3-9(6-23-2-1-21)11(13(18)4-10)5-19-15(22)12-7-24-16-14(12)25-8-20-16/h3-4,8,12,21H,1-2,5-7H2,(H,19,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237011
PNG
(US9388197, 13)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2COc3ncsc23)c1Cl
Show InChI InChI=1S/C14H10ClF3N2O2S/c15-10-7(2-1-3-9(10)14(16,17)18)4-19-12(21)8-5-22-13-11(8)23-6-20-13/h1-3,6,8H,4-5H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237048
PNG
(US9388197, 50)
Show SMILES Cc1nc2CCCC(C(=O)NCc3ccc(Cl)cc3Cl)c2s1
Show InChI InChI=1S/C16H16Cl2N2OS/c1-9-20-14-4-2-3-12(15(14)22-9)16(21)19-8-10-5-6-11(17)7-13(10)18/h5-7,12H,2-4,8H2,1H3,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237061
PNG
(US9388197, 63)
Show SMILES Clc1ccc(CCNC(=O)C2CCCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2OS/c17-11-5-4-10(13(18)8-11)6-7-19-16(21)12-2-1-3-14-15(12)22-9-20-14/h4-5,8-9,12H,1-3,6-7H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237029
PNG
(US9388197, 31)
Show SMILES Clc1ccc(CNC(=O)C2CCOc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-9-2-1-8(11(16)5-9)6-17-13(19)10-3-4-20-14-12(10)21-7-18-14/h1-2,5,7,10H,3-4,6H2,(H,17,19)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237049
PNG
(US9388197, 51)
Show SMILES Clc1ccc(CNC(=O)C2CCCc3nc(Br)sc23)c(Cl)c1
Show InChI InChI=1S/C15H13BrCl2N2OS/c16-15-20-12-3-1-2-10(13(12)22-15)14(21)19-7-8-4-5-9(17)6-11(8)18/h4-6,10H,1-3,7H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237047
PNG
(US9388197, 49)
Show SMILES Nc1nc2CCCC(C(=O)NCc3ccc(Cl)cc3Cl)c2s1
Show InChI InChI=1S/C15H15Cl2N3OS/c16-9-5-4-8(11(17)6-9)7-19-14(21)10-2-1-3-12-13(10)22-15(18)20-12/h4-6,10H,1-3,7H2,(H2,18,20)(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237056
PNG
(US9388197, 58)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2nc(sc12)C(F)(F)F
Show InChI InChI=1S/C17H15Cl2F3N2OS/c1-8-5-9(18)6-12(19)11(8)7-23-15(25)10-3-2-4-13-14(10)26-16(24-13)17(20,21)22/h5-6,10H,2-4,7H2,1H3,(H,23,25)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237070
PNG
(US9388197, 72)
Show SMILES Clc1ccc(CNC(=O)C2CCCCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2OS/c17-11-6-5-10(13(18)7-11)8-19-16(21)12-3-1-2-4-14-15(12)22-9-20-14/h5-7,9,12H,1-4,8H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237012
PNG
(US9388197, 14)
Show SMILES FC(F)(F)c1c(Cl)cccc1CNC(=O)C1COc2ncsc12
Show InChI InChI=1S/C14H10ClF3N2O2S/c15-9-3-1-2-7(10(9)14(16,17)18)4-19-12(21)8-5-22-13-11(8)23-6-20-13/h1-3,6,8H,4-5H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237031
PNG
(US9388197, 33)
Show SMILES Clc1cccc(CNC(=O)C2CCOc3ncsc23)c1Cl
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-10-3-1-2-8(11(10)16)6-17-13(19)9-4-5-20-14-12(9)21-7-18-14/h1-3,7,9H,4-6H2,(H,17,19)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237024
PNG
(US9388197, 26)
Show SMILES COc1cc(Cl)cc(Cl)c1CNC(=O)C1CCc2ncsc12
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-21-13-5-8(16)4-11(17)10(13)6-18-15(20)9-2-3-12-14(9)22-7-19-12/h4-5,7,9H,2-3,6H2,1H3,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237041
PNG
(US9388197, 43)
Show SMILES OCCOc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncsc12
Show InChI InChI=1S/C16H16Cl2N2O4S/c17-9-5-12(18)11(13(6-9)23-4-2-21)7-19-15(22)10-1-3-24-16-14(10)25-8-20-16/h5-6,8,10,21H,1-4,7H2,(H,19,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237016
PNG
(US9388197, 18)
Show SMILES Fc1ccc(CNC(=O)C2CCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C14H12ClFN2OS/c15-11-5-9(16)2-1-8(11)6-17-14(19)10-3-4-12-13(10)20-7-18-12/h1-2,5,7,10H,3-4,6H2,(H,17,19)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237034
PNG
(US9388197, 36)
Show SMILES Clc1c(CNC(=O)C2CCOc3ncsc23)cccc1C#N
Show InChI InChI=1S/C15H12ClN3O2S/c16-12-9(6-17)2-1-3-10(12)7-18-14(20)11-4-5-21-15-13(11)22-8-19-15/h1-3,8,11H,4-5,7H2,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237030
PNG
(US9388197, 32)
Show SMILES Fc1ccc(CNC(=O)C2CCOc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C14H12ClFN2O2S/c15-11-5-9(16)2-1-8(11)6-17-13(19)10-3-4-20-14-12(10)21-7-18-14/h1-2,5,7,10H,3-4,6H2,(H,17,19)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237073
PNG
(US9388197, 75 | US9388197, 76)
Show SMILES OC[C@@H](NC(=O)C1CCCCc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2N2O2S/c18-10-5-6-11(13(19)7-10)15(8-22)21-17(23)12-3-1-2-4-14-16(12)24-9-20-14/h5-7,9,12,15,22H,1-4,8H2,(H,21,23)/t12?,15-/m1/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237020
PNG
(US9388197, 22)
Show SMILES Clc1c(CNC(=O)C2CCc3ncsc23)cccc1C#N
Show InChI InChI=1S/C15H12ClN3OS/c16-13-9(6-17)2-1-3-10(13)7-18-15(20)11-4-5-12-14(11)21-8-19-12/h1-3,8,11H,4-5,7H2,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


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More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237022
PNG
(US9388197, 24)
Show SMILES OC[C@@H](NC(=O)C1CCc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-8-1-2-9(11(17)5-8)13(6-20)19-15(21)10-3-4-12-14(10)22-7-18-12/h1-2,5,7,10,13,20H,3-4,6H2,(H,19,21)/t10?,13-/m1/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237069
PNG
(US9388197, 71)
Show SMILES Nc1nc2CCCCC(C(=O)NCc3ccc(Cl)cc3Cl)c2s1
Show InChI InChI=1S/C16H17Cl2N3OS/c17-10-6-5-9(12(18)7-10)8-20-15(22)11-3-1-2-4-13-14(11)23-16(19)21-13/h5-7,11H,1-4,8H2,(H2,19,21)(H,20,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237062
PNG
(US9388197, 64)
Show SMILES OC[C@@H](NC(=O)C1CCCc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H16Cl2N2O2S/c17-9-4-5-10(12(18)6-9)14(7-21)20-16(22)11-2-1-3-13-15(11)23-8-19-13/h4-6,8,11,14,21H,1-3,7H2,(H,20,22)/t11?,14-/m1/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237000
PNG
(US9388197, 2)
Show SMILES Clc1ccc(CNC(=O)C2COc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O2S/c14-8-2-1-7(10(15)3-8)4-16-12(18)9-5-19-13-11(9)20-6-17-13/h1-3,6,9H,4-5H2,(H,16,18)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237033
PNG
(US9388197, 35)
Show SMILES Clc1ccc(CCNC(=O)C2CCOc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-10-2-1-9(12(17)7-10)3-5-18-14(20)11-4-6-21-15-13(11)22-8-19-15/h1-2,7-8,11H,3-6H2,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237073
PNG
(US9388197, 75 | US9388197, 76)
Show SMILES OC[C@@H](NC(=O)C1CCCCc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2N2O2S/c18-10-5-6-11(13(19)7-10)15(8-22)21-17(23)12-3-1-2-4-14-16(12)24-9-20-14/h5-7,9,12,15,22H,1-4,8H2,(H,21,23)/t12?,15-/m1/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237019
PNG
(US9388197, 21)
Show SMILES Clc1ccc(CCNC(=O)C2CCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N2OS/c16-10-2-1-9(12(17)7-10)5-6-18-15(20)11-3-4-13-14(11)21-8-19-13/h1-2,7-8,11H,3-6H2,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237037
PNG
(US9388197, 39)
Show SMILES OC[C@@H](NC(=O)C1CCOc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O3S/c16-8-1-2-9(11(17)5-8)12(6-20)19-14(21)10-3-4-22-15-13(10)23-7-18-15/h1-2,5,7,10,12,20H,3-4,6H2,(H,19,21)/t10?,12-/m1/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237053
PNG
(US9388197, 55)
Show SMILES O=C(NC1CCc2ccccc12)C1CCCc2ncsc12
Show InChI InChI=1S/C17H18N2OS/c20-17(13-6-3-7-15-16(13)21-10-18-15)19-14-9-8-11-4-1-2-5-12(11)14/h1-2,4-5,10,13-14H,3,6-9H2,(H,19,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237021
PNG
(US9388197, 23)
Show SMILES Clc1ccc(CCCNC(=O)C2CCc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2OS/c17-11-4-3-10(13(18)8-11)2-1-7-19-16(21)12-5-6-14-15(12)22-9-20-14/h3-4,8-9,12H,1-2,5-7H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237068
PNG
(US9388197, 70)
Show SMILES O=C(NCc1ccc(Oc2ccccc2)cc1)C1CCCc2ncsc12
Show InChI InChI=1S/C21H20N2O2S/c24-21(18-7-4-8-19-20(18)26-14-23-19)22-13-15-9-11-17(12-10-15)25-16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H,22,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237001
PNG
(US9388197, 3)
Show SMILES Fc1ccc(CNC(=O)C2COc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C13H10ClFN2O2S/c14-10-3-8(15)2-1-7(10)4-16-12(18)9-5-19-13-11(9)20-6-17-13/h1-3,6,9H,4-5H2,(H,16,18)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237044
PNG
(US9388197, 46)
Show SMILES Clc1ccc(CNC(=O)C2CCCc3ncsc23)cc1
Show InChI InChI=1S/C15H15ClN2OS/c16-11-6-4-10(5-7-11)8-17-15(19)12-2-1-3-13-14(12)20-9-18-13/h4-7,9,12H,1-3,8H2,(H,17,19)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237007
PNG
(US9388197, 9)
Show SMILES OC[C@@H](NC(=O)C1COc2ncsc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3S/c15-7-1-2-8(10(16)3-7)11(4-19)18-13(20)9-5-21-14-12(9)22-6-17-14/h1-3,6,9,11,19H,4-5H2,(H,18,20)/t9?,11-/m1/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237006
PNG
(US9388197, 8)
Show SMILES Clc1ccc(CCCNC(=O)C2COc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N2O2S/c16-10-4-3-9(12(17)6-10)2-1-5-18-14(20)11-7-21-15-13(11)22-8-19-15/h3-4,6,8,11H,1-2,5,7H2,(H,18,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237005
PNG
(US9388197, 7)
Show SMILES Clc1ccc(CCNC(=O)C2COc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-9-2-1-8(11(16)5-9)3-4-17-13(19)10-6-20-14-12(10)21-7-18-14/h1-2,5,7,10H,3-4,6H2,(H,17,19)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237067
PNG
(US9388197, 69)
Show SMILES Fc1cc(CNC(=O)C2CCCc3ncsc23)ccc1OC(F)(F)F
Show InChI InChI=1S/C16H14F4N2O2S/c17-11-6-9(4-5-13(11)24-16(18,19)20)7-21-15(23)10-2-1-3-12-14(10)25-8-22-12/h4-6,8,10H,1-3,7H2,(H,21,23)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237036
PNG
(US9388197, 38)
Show SMILES Clc1ccc(CCCNC(=O)C2CCOc3ncsc23)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2O2S/c17-11-4-3-10(13(18)8-11)2-1-6-19-15(21)12-5-7-22-16-14(12)23-9-20-16/h3-4,8-9,12H,1-2,5-7H2,(H,19,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237043
PNG
(US9388197, 45)
Show SMILES O=C(NCc1ccc(Oc2ccccc2)cc1)C1CCOc2ncsc12
Show InChI InChI=1S/C20H18N2O3S/c23-19(17-10-11-24-20-18(17)26-13-22-20)21-12-14-6-8-16(9-7-14)25-15-4-2-1-3-5-15/h1-9,13,17H,10-12H2,(H,21,23)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237045
PNG
(US9388197, 47)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1CCCc2ncsc12
Show InChI InChI=1S/C16H17ClN2OS/c1-19(9-11-5-7-12(17)8-6-11)16(20)13-3-2-4-14-15(13)21-10-18-14/h5-8,10,13H,2-4,9H2,1H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237055
PNG
(US9388197, 57)
Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCc2nc(sc12)-c1ccccc1
Show InChI InChI=1S/C22H20Cl2N2OS/c1-13-10-15(23)11-18(24)17(13)12-25-21(27)16-8-5-9-19-20(16)28-22(26-19)14-6-3-2-4-7-14/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,25,27)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237014
PNG
(US9388197, 16)
Show SMILES O=C(NCc1ccc(Oc2ccccc2)cc1)C1COc2ncsc12
Show InChI InChI=1S/C19H16N2O3S/c22-18(16-11-23-19-17(16)25-12-21-19)20-10-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,12,16H,10-11H2,(H,20,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237035
PNG
(US9388197, 37)
Show SMILES FC(F)(F)c1ccc(CNC(=O)C2CCOc3ncsc23)cc1
Show InChI InChI=1S/C15H13F3N2O2S/c16-15(17,18)10-3-1-9(2-4-10)7-19-13(21)11-5-6-22-14-12(11)23-8-20-14/h1-4,8,11H,5-7H2,(H,19,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237027
PNG
(US9388197, 29)
Show SMILES Fc1cc(CNC(=O)C2CCc3ncsc23)ccc1OC(F)(F)F
Show InChI InChI=1S/C15H12F4N2O2S/c16-10-5-8(1-4-12(10)23-15(17,18)19)6-20-14(22)9-2-3-11-13(9)24-7-21-11/h1,4-5,7,9H,2-3,6H2,(H,20,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237002
PNG
(US9388197, 4)
Show SMILES Clc1ccc(CNC(=O)C2COc3ncsc23)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O2S/c14-9-2-1-7(3-10(9)15)4-16-12(18)8-5-19-13-11(8)20-6-17-13/h1-3,6,8H,4-5H2,(H,16,18)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.95E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237042
PNG
(US9388197, 44)
Show SMILES Fc1cc(CNC(=O)C2CCOc3ncsc23)ccc1OC(F)(F)F
Show InChI InChI=1S/C15H12F4N2O3S/c16-10-5-8(1-2-11(10)24-15(17,18)19)6-20-13(22)9-3-4-23-14-12(9)25-7-21-14/h1-2,5,7,9H,3-4,6H2,(H,20,22)
PDB

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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.80E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM236999
PNG
(US9388197, 1)
Show SMILES Clc1ccc(CNC(=O)C2COc3ncsc23)cc1
Show InChI InChI=1S/C13H11ClN2O2S/c14-9-3-1-8(2-4-9)5-15-12(17)10-6-18-13-11(10)19-7-16-13/h1-4,7,10H,5-6H2,(H,15,17)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.63E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM237028
PNG
(US9388197, 30)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1CCOc2ncsc12
Show InChI InChI=1S/C15H15ClN2O2S/c1-18(8-10-2-4-11(16)5-3-10)15(19)12-6-7-20-14-13(12)21-9-17-14/h2-5,9,12H,6-8H2,1H3
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.11E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Pe...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%