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Patent code US9221832

Compile Data Set for Download or QSAR
Found 152 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))		BDBM199025
PNG
(BDBM199037 | BDBM199038 | US9221832, 89)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2cnccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-4-10(17)5-13(18)12(9)6-16(21)20-14-8-22-15-7-19-3-2-11(14)15/h2-5,7,14H,6,8H2,1H3,(H,20,21)
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 2.20n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199025
PNG
(BDBM199037 | BDBM199038 | US9221832, 89)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2cnccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-4-10(17)5-13(18)12(9)6-16(21)20-14-8-22-15-7-19-3-2-11(14)15/h2-5,7,14H,6,8H2,1H3,(H,20,21)
PDB

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US Patent
n/an/a 3.20n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198941
PNG
(BDBM198942 | BDBM198943 | US9221832, 5)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-13(18)12(9)7-15(21)20-14-8-22-16-11(14)3-2-4-19-16/h2-6,14H,7-8H2,1H3,(H,20,21)
PDB

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n/an/a 3.5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199023
PNG
(US9221832, 87)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3cnccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-15-9(2-1-3-11(15)16(18,19)20)6-14(23)22-12-8-24-13-7-21-5-4-10(12)13/h1-5,7,12H,6,8H2,(H,22,23)
PDB

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US Patent
n/an/a 4.60n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
PDB

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



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199064
PNG
(US9221832, 128)
Show SMILES Cc1cncc2OCC(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9-6-22-7-13-15(9)12(8-25-13)23-14(24)5-10-3-2-4-11(16(10)18)17(19,20)21/h2-4,6-7,12H,5,8H2,1H3,(H,23,24)
PDB

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n/an/a 5.60n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199046
PNG
(US9221832, 110)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2nnccc12
Show InChI InChI=1S/C15H13Cl2N3O2/c1-8-4-9(16)5-12(17)11(8)6-14(21)19-13-7-22-15-10(13)2-3-18-20-15/h2-5,13H,6-7H2,1H3,(H,19,21)
PDB

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n/an/a 6.70n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
PDB

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n/an/a 7.40n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199050
PNG
(US9221832, 114)
Show SMILES FC(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H13ClF2N2O2/c17-14-9(3-1-4-11(14)15(18)19)7-13(22)21-12-8-23-16-10(12)5-2-6-20-16/h1-6,12,15H,7-8H2,(H,21,22)
PDB

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n/an/a 7.60n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199045
PNG
(US9221832, 109)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3nnccc23)c1Cl
Show InChI InChI=1S/C15H11ClF3N3O2/c16-13-8(2-1-3-10(13)15(17,18)19)6-12(23)21-11-7-24-14-9(11)4-5-20-22-14/h1-5,11H,6-7H2,(H,21,23)
PDB

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n/an/a 9n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199021
PNG
(BDBM199022 | BDBM199028 | BDBM199029 | BDBM199030 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-13(11)18)15(21)20-14-8-22-16-12(14)3-2-6-19-16/h2-7,9,14H,8H2,1H3,(H,20,21)
PDB

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n/an/a 9n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
PDB

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n/an/a 9.90n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199021
PNG
(BDBM199022 | BDBM199028 | BDBM199029 | BDBM199030 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-13(11)18)15(21)20-14-8-22-16-12(14)3-2-6-19-16/h2-7,9,14H,8H2,1H3,(H,20,21)
PDB

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



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198941
PNG
(BDBM198942 | BDBM198943 | US9221832, 5)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-13(18)12(9)7-15(21)20-14-8-22-16-11(14)3-2-4-19-16/h2-6,14H,7-8H2,1H3,(H,20,21)
PDB

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n/an/a 12n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199066
PNG
(US9221832, 131)
Show SMILES Cc1cncc2OCC(NC(=O)Cc3c(C)cc(Cl)cc3Cl)c12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-9-3-11(18)4-13(19)12(9)5-16(22)21-14-8-23-15-7-20-6-10(2)17(14)15/h3-4,6-7,14H,5,8H2,1-2H3,(H,21,22)
PDB

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n/an/a 14n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199021
PNG
(BDBM199022 | BDBM199028 | BDBM199029 | BDBM199030 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-13(11)18)15(21)20-14-8-22-16-12(14)3-2-6-19-16/h2-7,9,14H,8H2,1H3,(H,20,21)
PDB

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n/an/a 15n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199033
PNG
(US9221832, 97)
Show SMILES FC(F)(F)c1c(Cl)cccc1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H12ClF3N2O2/c17-11-5-1-3-9(14(11)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
PDB

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n/an/a 15n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199019
PNG
(US9221832, 83)
Show SMILES Clc1ccc(CC(=O)NC2COc3cnccc23)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O2/c16-10-2-1-9(12(17)6-10)5-15(20)19-13-8-21-14-7-18-4-3-11(13)14/h1-4,6-7,13H,5,8H2,(H,19,20)
PDB

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n/an/a 15n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199039
PNG
(US9221832, 103)
Show SMILES OCc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(13(18)5-10)6-15(22)20-14-8-23-16-11(14)2-1-3-19-16/h1-5,14,21H,6-8H2,(H,20,22)
PDB

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n/an/a 16n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198941
PNG
(BDBM198942 | BDBM198943 | US9221832, 5)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-5-10(17)6-13(18)12(9)7-15(21)20-14-8-22-16-11(14)3-2-4-19-16/h2-6,14H,7-8H2,1H3,(H,20,21)
PDB

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n/an/a 16n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198985
PNG
(US9221832, 49)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2CCOc3ncccc23)c1Cl
Show InChI InChI=1S/C17H14ClF3N2O2/c18-15-10(3-1-5-12(15)17(19,20)21)9-14(24)23-13-6-8-25-16-11(13)4-2-7-22-16/h1-5,7,13H,6,8-9H2,(H,23,24)
PDB

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n/an/a 17n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199002
PNG
(US9221832, 66)
Show SMILES Clc1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C15H12Cl2N2O2/c16-11-5-1-3-9(14(11)17)7-13(20)19-12-8-21-15-10(12)4-2-6-18-15/h1-6,12H,7-8H2,(H,19,20)
PDB

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n/an/a 20n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199069
PNG
(US9221832, 134)
Show SMILES Cc1ccc2C(COc2n1)NC(=O)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9-5-6-11-13(8-25-16(11)22-9)23-14(24)7-10-3-2-4-12(15(10)18)17(19,20)21/h2-6,13H,7-8H2,1H3,(H,23,24)
PDB

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n/an/a 21n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199015
PNG
(US9221832, 79)
Show SMILES OCC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O3/c17-9-3-4-10(13(18)6-9)12(7-21)15(22)20-14-8-23-16-11(14)2-1-5-19-16/h1-6,12,14,21H,7-8H2,(H,20,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199011
PNG
(BDBM199034 | BDBM199035 | US9221832, 75)
Show SMILES Clc1c(CC(=O)NC2COc3ncccc23)cccc1C#N
Show InChI InChI=1S/C16H12ClN3O2/c17-15-10(3-1-4-11(15)8-18)7-14(21)20-13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,7,9H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198968
PNG
(US9221832, 32)
Show SMILES CCc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-2-10-6-11(18)7-14(19)13(10)8-16(22)21-15-9-23-17-12(15)4-3-5-20-17/h3-7,15H,2,8-9H2,1H3,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199049
PNG
(US9221832, 113)
Show SMILES FC(F)(F)c1c(CC(=O)NC2COc3ncccc23)cccc1C#N
Show InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)15-10(3-1-4-11(15)8-21)7-14(24)23-13-9-25-16-12(13)5-2-6-22-16/h1-6,13H,7,9H2,(H,23,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198944
PNG
(BDBM198964 | BDBM198965 | US9221832, 8)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-14(19)13(10)9-16(22)21-15-4-6-23-17-12(15)3-2-5-20-17/h2-3,5,7-8,15H,4,6,9H2,1H3,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199011
PNG
(BDBM199034 | BDBM199035 | US9221832, 75)
Show SMILES Clc1c(CC(=O)NC2COc3ncccc23)cccc1C#N
Show InChI InChI=1S/C16H12ClN3O2/c17-15-10(3-1-4-11(15)8-18)7-14(21)20-13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,7,9H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199043
PNG
(US9221832, 107)
Show SMILES Fc1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1C#N
Show InChI InChI=1S/C16H11ClFN3O2/c17-15-9(3-4-12(18)11(15)7-19)6-14(22)21-13-8-23-16-10(13)2-1-5-20-16/h1-5,13H,6,8H2,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198937
PNG
(BDBM198939 | BDBM198940 | US9221832, 1)
Show SMILES Clc1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O2/c16-10-4-3-9(12(17)7-10)6-14(20)19-13-8-21-15-11(13)2-1-5-18-15/h1-5,7,13H,6,8H2,(H,19,20)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199021
PNG
(BDBM199022 | BDBM199028 | BDBM199029 | BDBM199030 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-13(11)18)15(21)20-14-8-22-16-12(14)3-2-6-19-16/h2-7,9,14H,8H2,1H3,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199072
PNG
(US9221832, 137)
Show SMILES Cc1ccnc2OCC(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9-5-6-22-16-14(9)12(8-25-16)23-13(24)7-10-3-2-4-11(15(10)18)17(19,20)21/h2-6,12H,7-8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198937
PNG
(BDBM198939 | BDBM198940 | US9221832, 1)
Show SMILES Clc1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O2/c16-10-4-3-9(12(17)7-10)6-14(20)19-13-8-21-15-11(13)2-1-5-18-15/h1-5,7,13H,6,8H2,(H,19,20)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199065
PNG
(US9221832, 130 | US9221832, 146 | US9221832, 147)
Show SMILES Clc1cc2CCC(C(=O)NC3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-12(15(9)13(19)7-10)16(22)21-14-8-23-17-11(14)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199011
PNG
(BDBM199034 | BDBM199035 | US9221832, 75)
Show SMILES Clc1c(CC(=O)NC2COc3ncccc23)cccc1C#N
Show InChI InChI=1S/C16H12ClN3O2/c17-15-10(3-1-4-11(15)8-18)7-14(21)20-13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,7,9H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198937
PNG
(BDBM198939 | BDBM198940 | US9221832, 1)
Show SMILES Clc1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O2/c16-10-4-3-9(12(17)7-10)6-14(20)19-13-8-21-15-11(13)2-1-5-18-15/h1-5,7,13H,6,8H2,(H,19,20)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199068
PNG
(US9221832, 133)
Show SMILES Cc1ccc2C(COc2n1)NC(=O)Cc1c(C)cc(Cl)cc1Cl
Show InChI InChI=1S/C17H16Cl2N2O2/c1-9-5-11(18)6-14(19)13(9)7-16(22)21-15-8-23-17-12(15)4-3-10(2)20-17/h3-6,15H,7-8H2,1-2H3,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198944
PNG
(BDBM198964 | BDBM198965 | US9221832, 8)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-14(19)13(10)9-16(22)21-15-4-6-23-17-12(15)3-2-5-20-17/h2-3,5,7-8,15H,4,6,9H2,1H3,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199079
PNG
(US9221832, 144)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2nc(Cl)ccc12
Show InChI InChI=1S/C16H13Cl3N2O2/c1-8-4-9(17)5-12(18)11(8)6-15(22)20-13-7-23-16-10(13)2-3-14(19)21-16/h2-5,13H,6-7H2,1H3,(H,20,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199036
PNG
(US9221832, 100)
Show SMILES Cc1nccc2C(COc12)NC(=O)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-16-12(4-5-19-9)14(8-22-16)20-15(21)6-10-2-3-11(17)7-13(10)18/h2-5,7,14H,6,8H2,1H3,(H,20,21)
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n/an/a 52n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199042
PNG
(US9221832, 106)
Show SMILES Clc1ccc(CC(=O)NC2COc3c2ccnc3Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl3N2O2/c16-9-2-1-8(11(17)6-9)5-13(21)20-12-7-22-14-10(12)3-4-19-15(14)18/h1-4,6,12H,5,7H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198975
PNG
(US9221832, 39)
Show SMILES Clc1cc(Cl)c(CC(=O)NC2COc3ncccc23)c(c1)C1CC1
Show InChI InChI=1S/C18H16Cl2N2O2/c19-11-6-13(10-3-4-10)14(15(20)7-11)8-17(23)22-16-9-24-18-12(16)2-1-5-21-18/h1-2,5-7,10,16H,3-4,8-9H2,(H,22,23)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199020
PNG
(US9221832, 84)
Show SMILES CCC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H16Cl2N2O2/c1-2-11(12-6-5-10(18)8-14(12)19)16(22)21-15-9-23-17-13(15)4-3-7-20-17/h3-8,11,15H,2,9H2,1H3,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199053
PNG
(US9221832, 117)
Show SMILES Cc1cc2C(COc2cn1)NC(=O)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9-5-11-13(8-25-14(11)7-22-9)23-15(24)6-10-3-2-4-12(16(10)18)17(19,20)21/h2-5,7,13H,6,8H2,1H3,(H,23,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199078
PNG
(US9221832, 143)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3nc(Cl)ccc23)c1Cl
Show InChI InChI=1S/C16H11Cl2F3N2O2/c17-12-5-4-9-11(7-25-15(9)23-12)22-13(24)6-8-2-1-3-10(14(8)18)16(19,20)21/h1-5,11H,6-7H2,(H,22,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198990
PNG
(US9221832, 54)
Show SMILES Clc1cccc(CC(=O)NC2CCOc3ncccc23)c1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c17-12-5-1-3-10(15(12)18)9-14(21)20-13-6-8-22-16-11(13)4-2-7-19-16/h1-5,7,13H,6,8-9H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199040
PNG
(US9221832, 104)
Show SMILES Clc1ccc(CC(=O)NC2COc3c2ccnc3C2CC2)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N2O2/c19-12-4-3-11(14(20)8-12)7-16(23)22-15-9-24-18-13(15)5-6-21-17(18)10-1-2-10/h3-6,8,10,15H,1-2,7,9H2,(H,22,23)
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n/an/a 71n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199044
PNG
(US9221832, 108)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O3/c17-14-9(3-1-5-12(14)25-16(18,19)20)7-13(23)22-11-8-24-15-10(11)4-2-6-21-15/h1-6,11H,7-8H2,(H,22,23)
PDB

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n/an/a 71n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199024
PNG
(US9221832, 88)
Show SMILES FC(F)(F)c1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H12ClF3N2O2/c17-12-7-10(16(18,19)20)4-3-9(12)6-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-5,7,13H,6,8H2,(H,22,23)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199051
PNG
(US9221832, 115)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3cnc(Cl)cc23)c1Cl
Show InChI InChI=1S/C16H11Cl2F3N2O2/c17-13-5-9-11(7-25-12(9)6-22-13)23-14(24)4-8-2-1-3-10(15(8)18)16(19,20)21/h1-3,5-6,11H,4,7H2,(H,23,24)
PDB

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n/an/a 81n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199012
PNG
(US9221832, 76)
Show SMILES Fc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C15H11Cl2FN2O2/c16-8-4-11(17)10(12(18)5-8)6-14(21)20-13-7-22-15-9(13)2-1-3-19-15/h1-5,13H,6-7H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199026
PNG
(US9221832, 90)
Show SMILES Fc1c(CC(=O)NC2COc3ncccc23)cccc1C(F)(F)F
Show InChI InChI=1S/C16H12F4N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
PDB

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n/an/a 92n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199073
PNG
(US9221832, 138)
Show SMILES Cc1ccnc2OCC(NC(=O)Cc3c(C)cc(Cl)cc3Cl)c12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-9-3-4-20-17-16(9)14(8-23-17)21-15(22)7-12-10(2)5-11(18)6-13(12)19/h3-6,14H,7-8H2,1-2H3,(H,21,22)
PDB

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n/an/a 99n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198938
PNG
(US9221832, 2)
Show SMILES Fc1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C15H12ClFN2O2/c16-12-7-10(17)4-3-9(12)6-14(20)19-13-8-21-15-11(13)2-1-5-18-15/h1-5,7,13H,6,8H2,(H,19,20)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199021
PNG
(BDBM199022 | BDBM199028 | BDBM199029 | BDBM199030 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-13(11)18)15(21)20-14-8-22-16-12(14)3-2-6-19-16/h2-7,9,14H,8H2,1H3,(H,20,21)
PDB

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n/an/a 104n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM60906
PNG
(US9221832, 129)
Show SMILES [O-][n+]1cccc2C(COc12)NC(=O)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C16H12ClF3N2O3/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)21-12-8-25-15-10(12)4-2-6-22(15)24/h1-6,12H,7-8H2,(H,21,23)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199032
PNG
(US9221832, 96)
Show SMILES Clc1cc(ccc1CC(=O)NC1COc2ncccc12)C#N
Show InChI InChI=1S/C16H12ClN3O2/c17-13-6-10(8-18)3-4-11(13)7-15(21)20-14-9-22-16-12(14)2-1-5-19-16/h1-6,14H,7,9H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198960
PNG
(US9221832, 24)
Show SMILES Clc1ccc(c(Cl)c1)C1(CC1)C(=O)NC1COc2ncccc12
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-3-4-12(13(19)8-10)17(5-6-17)16(22)21-14-9-23-15-11(14)2-1-7-20-15/h1-4,7-8,14H,5-6,9H2,(H,21,22)
PDB

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n/an/a 133n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199021
PNG
(BDBM199022 | BDBM199028 | BDBM199029 | BDBM199030 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-13(11)18)15(21)20-14-8-22-16-12(14)3-2-6-19-16/h2-7,9,14H,8H2,1H3,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199065
PNG
(US9221832, 130 | US9221832, 146 | US9221832, 147)
Show SMILES Clc1cc2CCC(C(=O)NC3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-12(15(9)13(19)7-10)16(22)21-14-8-23-17-11(14)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198945
PNG
(BDBM198966 | BDBM198967 | US9221832, 9)
Show SMILES Clc1ccc(CC(=O)NC2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198961
PNG
(US9221832, 25)
Show SMILES Fc1ccc(c(Cl)c1)C1(CCCC1)C(=O)NC1COc2ncccc12
Show InChI InChI=1S/C19H18ClFN2O2/c20-15-10-12(21)5-6-14(15)19(7-1-2-8-19)18(24)23-16-11-25-17-13(16)4-3-9-22-17/h3-6,9-10,16H,1-2,7-8,11H2,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199065
PNG
(US9221832, 130 | US9221832, 146 | US9221832, 147)
Show SMILES Clc1cc2CCC(C(=O)NC3COc4ncccc34)c2c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-12(15(9)13(19)7-10)16(22)21-14-8-23-17-11(14)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
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM60907
PNG
(US9221832, 148)
Show SMILES [O-][n+]1ccc2C(COc2c1)NC(=O)Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C16H12ClF3N2O3/c17-15-9(2-1-3-11(15)16(18,19)20)6-14(23)21-12-8-25-13-7-22(24)5-4-10(12)13/h1-5,7,12H,6,8H2,(H,21,23)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198944
PNG
(BDBM198964 | BDBM198965 | US9221832, 8)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-14(19)13(10)9-16(22)21-15-4-6-23-17-12(15)3-2-5-20-17/h2-3,5,7-8,15H,4,6,9H2,1H3,(H,21,22)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198945
PNG
(BDBM198966 | BDBM198967 | US9221832, 9)
Show SMILES Clc1ccc(CC(=O)NC2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198945
PNG
(BDBM198966 | BDBM198967 | US9221832, 9)
Show SMILES Clc1ccc(CC(=O)NC2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198971
PNG
(US9221832, 35)
Show SMILES FC(F)(F)c1cc(Cl)ccc1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H12ClF3N2O2/c17-10-4-3-9(12(7-10)16(18,19)20)6-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-5,7,13H,6,8H2,(H,22,23)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199003
PNG
(US9221832, 67)
Show SMILES Fc1ccc(Cl)c(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C15H11Cl2FN2O2/c16-10-3-4-11(18)9(14(10)17)6-13(21)20-12-7-22-15-8(12)2-1-5-19-15/h1-5,12H,6-7H2,(H,20,21)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199048
PNG
(US9221832, 112)
Show SMILES Clc1ccc(CC(=O)NC2COc3ncccc23)c(Cl)c1C#N
Show InChI InChI=1S/C16H11Cl2N3O2/c17-12-4-3-9(15(18)11(12)7-19)6-14(22)21-13-8-23-16-10(13)2-1-5-20-16/h1-5,13H,6,8H2,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198969
PNG
(US9221832, 33)
Show SMILES FC(F)(F)c1cc(Cl)cc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H11Cl2F3N2O2/c17-8-4-11(16(19,20)21)10(12(18)5-8)6-14(24)23-13-7-25-15-9(13)2-1-3-22-15/h1-5,13H,6-7H2,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199041
PNG
(US9221832, 105)
Show SMILES COc1nccc2C(COc12)NC(=O)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O3/c1-22-16-15-11(4-5-19-16)13(8-23-15)20-14(21)6-9-2-3-10(17)7-12(9)18/h2-5,7,13H,6,8H2,1H3,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199074
PNG
(US9221832, 139)
Show SMILES COc1ccnc2OCC(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C17H14ClF3N2O3/c1-25-12-5-6-22-16-14(12)11(8-26-16)23-13(24)7-9-3-2-4-10(15(9)18)17(19,20)21/h2-6,11H,7-8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198994
PNG
(US9221832, 58)
Show SMILES Clc1ccc(c(Cl)c1)C1(CC1)C(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C18H16Cl2N2O2/c19-11-3-4-13(14(20)10-11)18(6-7-18)17(23)22-15-5-9-24-16-12(15)2-1-8-21-16/h1-4,8,10,15H,5-7,9H2,(H,22,23)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198973
PNG
(US9221832, 37)
Show SMILES Clc1cc(Cl)c(CC(=O)NC2COc3ncccc23)c(c1)C#N
Show InChI InChI=1S/C16H11Cl2N3O2/c17-10-4-9(7-19)12(13(18)5-10)6-15(22)21-14-8-23-16-11(14)2-1-3-20-16/h1-5,14H,6,8H2,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198977
PNG
(US9221832, 41)
Show SMILES Fc1cc(CC(=O)NC2COc3ncccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2FN2O2/c16-10-6-11(17)12(18)4-8(10)5-14(21)20-13-7-22-15-9(13)2-1-3-19-15/h1-4,6,13H,5,7H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199052
PNG
(US9221832, 116)
Show SMILES Clc1ccc(CC(=O)NC2COc3cnc(Cl)cc23)c(Cl)c1
Show InChI InChI=1S/C15H11Cl3N2O2/c16-9-2-1-8(11(17)4-9)3-15(21)20-12-7-22-13-6-19-14(18)5-10(12)13/h1-2,4-6,12H,3,7H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199006
PNG
(US9221832, 70)
Show SMILES Fc1cc(Cl)cc(Cl)c1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C16H13Cl2FN2O2/c17-9-6-12(18)11(13(19)7-9)8-15(22)21-14-3-5-23-16-10(14)2-1-4-20-16/h1-2,4,6-7,14H,3,5,8H2,(H,21,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198995
PNG
(US9221832, 59)
Show SMILES Fc1ccc(c(Cl)c1)C1(CCCC1)C(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C20H20ClFN2O2/c21-16-12-13(22)5-6-15(16)20(8-1-2-9-20)19(25)24-17-7-11-26-18-14(17)4-3-10-23-18/h3-6,10,12,17H,1-2,7-9,11H2,(H,24,25)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198954
PNG
(US9221832, 18)
Show SMILES Fc1ccc(CC(=O)NC2COc3ncccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F4N2O2/c17-10-4-3-9(12(7-10)16(18,19)20)6-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-5,7,13H,6,8H2,(H,22,23)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199047
PNG
(US9221832, 111)
Show SMILES CC(=O)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C17H15ClN2O3/c1-10(21)12-5-2-4-11(16(12)18)8-15(22)20-14-9-23-17-13(14)6-3-7-19-17/h2-7,14H,8-9H2,1H3,(H,20,22)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198957
PNG
(US9221832, 21)
Show SMILES Clc1ccc(CC(=O)NC2COc3ncccc23)cc1Cl
Show InChI InChI=1S/C15H12Cl2N2O2/c16-11-4-3-9(6-12(11)17)7-14(20)19-13-8-21-15-10(13)2-1-5-18-15/h1-6,13H,7-8H2,(H,19,20)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198992
PNG
(US9221832, 56)
Show SMILES FC(F)(F)c1cc(Cl)cc(Cl)c1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C17H13Cl2F3N2O2/c18-9-6-12(17(20,21)22)11(13(19)7-9)8-15(25)24-14-3-5-26-16-10(14)2-1-4-23-16/h1-2,4,6-7,14H,3,5,8H2,(H,24,25)
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n/an/a 489n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198974
PNG
(US9221832, 38)
Show SMILES Fc1ccc(CC(=O)NC2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14ClFN2O2/c17-13-9-11(18)4-3-10(13)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
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n/an/a 496n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199067
PNG
(US9221832, 132)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3cncc(C4CC4)c23)c1Cl
Show InChI InChI=1S/C19H16ClF3N2O2/c20-18-11(2-1-3-13(18)19(21,22)23)6-16(26)25-14-9-27-15-8-24-7-12(17(14)15)10-4-5-10/h1-3,7-8,10,14H,4-6,9H2,(H,25,26)
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n/an/a 506n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198953
PNG
(US9221832, 17)
Show SMILES Fc1ccc(CC(=O)NC2COc3ncccc23)c(F)c1
Show InChI InChI=1S/C15H12F2N2O2/c16-10-4-3-9(12(17)7-10)6-14(20)19-13-8-21-15-11(13)2-1-5-18-15/h1-5,7,13H,6,8H2,(H,19,20)
PDB

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n/an/a 522n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199027
PNG
(BDBM199054 | BDBM199055 | BDBM199056 | BDBM199057 ...)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
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n/an/a 571n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198956
PNG
(US9221832, 20)
Show SMILES COc1ccc(CC(=O)NC2COc3ncccc23)c(F)c1
Show InChI InChI=1S/C16H15FN2O3/c1-21-11-5-4-10(13(17)8-11)7-15(20)19-14-9-22-16-12(14)3-2-6-18-16/h2-6,8,14H,7,9H2,1H3,(H,19,20)
PDB

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n/an/a 578n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199025
PNG
(BDBM199037 | BDBM199038 | US9221832, 89)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2cnccc12
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9-4-10(17)5-13(18)12(9)6-16(21)20-14-8-22-15-7-19-3-2-11(14)15/h2-5,7,14H,6,8H2,1H3,(H,20,21)
PDB

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n/an/a 598n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198978
PNG
(US9221832, 42)
Show SMILES Cc1ccc(F)c(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H14ClFN2O2/c1-9-4-5-12(18)11(15(9)17)7-14(21)20-13-8-22-16-10(13)3-2-6-19-16/h2-6,13H,7-8H2,1H3,(H,20,21)
PDB

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n/an/a 641n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199014
PNG
(US9221832, 78)
Show SMILES Fc1ccc(F)c(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C15H11ClF2N2O2/c16-14-9(10(17)3-4-11(14)18)6-13(21)20-12-7-22-15-8(12)2-1-5-19-15/h1-5,12H,6-7H2,(H,20,21)
PDB

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n/an/a 665n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198996
PNG
(US9221832, 60)
Show SMILES Clc1ncccc1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C15H14ClN3O2/c16-14-10(3-1-6-17-14)9-13(20)19-12-5-8-21-15-11(12)4-2-7-18-15/h1-4,6-7,12H,5,8-9H2,(H,19,20)
PDB

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n/an/a 780n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198997
PNG
(US9221832, 61)
Show SMILES Cc1ccc(OCC(=O)NC2CCOc3ncccc23)c(C)n1
Show InChI InChI=1S/C17H19N3O3/c1-11-5-6-15(12(2)19-11)23-10-16(21)20-14-7-9-22-17-13(14)4-3-8-18-17/h3-6,8,14H,7,9-10H2,1-2H3,(H,20,21)
PDB

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n/an/a 814n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198959
PNG
(US9221832, 23)
Show SMILES CC(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN2O2/c1-10(11-4-6-12(17)7-5-11)15(20)19-14-9-21-16-13(14)3-2-8-18-16/h2-8,10,14H,9H2,1H3,(H,19,20)
PDB

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n/an/a 828n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199086
PNG
(US9221832, 152)
Show SMILES FC(F)(F)c1ccnc2OCC(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C17H11ClF6N2O2/c18-14-8(2-1-3-10(14)17(22,23)24)6-12(27)26-11-7-28-15-13(11)9(4-5-25-15)16(19,20)21/h1-5,11H,6-7H2,(H,26,27)
PDB

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n/an/a 861n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198958
PNG
(US9221832, 22)
Show SMILES Fc1cc(F)c(CC(=O)NC2COc3ncccc23)c(F)c1
Show InChI InChI=1S/C15H11F3N2O2/c16-8-4-11(17)10(12(18)5-8)6-14(21)20-13-7-22-15-9(13)2-1-3-19-15/h1-5,13H,6-7H2,(H,20,21)
PDB

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n/an/a 884n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199008
PNG
(US9221832, 72)
Show SMILES FC(F)(F)c1ccc(Cl)c(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H11Cl2F3N2O2/c17-11-4-3-10(16(19,20)21)14(18)9(11)6-13(24)23-12-7-25-15-8(12)2-1-5-22-15/h1-5,12H,6-7H2,(H,23,24)
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198952
PNG
(US9221832, 16)
Show SMILES FC(F)(F)c1ccc(CC(=O)NC2COc3ncccc23)cc1
Show InChI InChI=1S/C16H13F3N2O2/c17-16(18,19)11-5-3-10(4-6-11)8-14(22)21-13-9-23-15-12(13)2-1-7-20-15/h1-7,13H,8-9H2,(H,21,22)
PDB

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n/an/a 1.17E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199016
PNG
(US9221832, 80)
Show SMILES NC(=O)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H14ClN3O3/c17-14-9(3-1-4-11(14)15(18)22)7-13(21)20-12-8-23-16-10(12)5-2-6-19-16/h1-6,12H,7-8H2,(H2,18,22)(H,20,21)
PDB

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n/an/a 1.24E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198991
PNG
(US9221832, 55)
Show SMILES Clc1ccc(CC(=O)NC2CCOc3ncccc23)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c17-12-4-3-10(8-13(12)18)9-15(21)20-14-5-7-22-16-11(14)2-1-6-19-16/h1-4,6,8,14H,5,7,9H2,(H,20,21)
PDB

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n/an/a 1.27E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198947
PNG
(US9221832, 11)
Show SMILES Cc1ccccc1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H16N2O2/c1-11-5-2-3-6-12(11)9-15(19)18-14-10-20-16-13(14)7-4-8-17-16/h2-8,14H,9-10H2,1H3,(H,18,19)
PDB

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n/an/a 1.31E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198989
PNG
(US9221832, 53)
Show SMILES FC(F)(F)c1cc(Cl)ccc1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C17H14ClF3N2O2/c18-11-4-3-10(13(9-11)17(19,20)21)8-15(24)23-14-5-7-25-16-12(14)2-1-6-22-16/h1-4,6,9,14H,5,7-8H2,(H,23,24)
PDB

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n/an/a 1.32E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198982
PNG
(US9221832, 46)
Show SMILES FC(F)(F)c1ccc(CC(=O)NC2CCOc3ncccc23)cc1
Show InChI InChI=1S/C17H15F3N2O2/c18-17(19,20)12-5-3-11(4-6-12)10-15(23)22-14-7-9-24-16-13(14)2-1-8-21-16/h1-6,8,14H,7,9-10H2,(H,22,23)
PDB

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n/an/a 1.35E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198983
PNG
(US9221832, 47)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2CCOc3ncccc23)c1
Show InChI InChI=1S/C17H15F3N2O2/c18-17(19,20)12-4-1-3-11(9-12)10-15(23)22-14-6-8-24-16-13(14)5-2-7-21-16/h1-5,7,9,14H,6,8,10H2,(H,22,23)
PDB

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n/an/a 1.38E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198951
PNG
(US9221832, 15)
Show SMILES Clc1ccc(CC(=O)NC2COc3ncccc23)cc1
Show InChI InChI=1S/C15H13ClN2O2/c16-11-5-3-10(4-6-11)8-14(19)18-13-9-20-15-12(13)2-1-7-17-15/h1-7,13H,8-9H2,(H,18,19)
PDB

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n/an/a 1.42E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198993
PNG
(US9221832, 57)
Show SMILES Fc1cc(CC(=O)NC2CCOc3ncccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2FN2O2/c17-11-8-12(18)13(19)6-9(11)7-15(22)21-14-3-5-23-16-10(14)2-1-4-20-16/h1-2,4,6,8,14H,3,5,7H2,(H,21,22)
PDB

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n/an/a 1.47E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198972
PNG
(US9221832, 36)
Show SMILES O=C(Cc1ccc(Oc2ccccc2)cc1)NC1COc2ncccc12
Show InChI InChI=1S/C21H18N2O3/c24-20(23-19-14-25-21-18(19)7-4-12-22-21)13-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-12,19H,13-14H2,(H,23,24)
PDB

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n/an/a 1.49E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199000
PNG
(US9221832, 64)
Show SMILES CC(C(=O)NC1CCOc2ncccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-11(12-4-6-13(18)7-5-12)16(21)20-15-8-10-22-17-14(15)3-2-9-19-17/h2-7,9,11,15H,8,10H2,1H3,(H,20,21)
PDB

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n/an/a 1.52E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198976
PNG
(US9221832, 40)
Show SMILES Cc1c(Cl)cc(c(CC(=O)NC2COc3ncccc23)c1F)C(F)(F)F
Show InChI InChI=1S/C17H13ClF4N2O2/c1-8-12(18)6-11(17(20,21)22)10(15(8)19)5-14(25)24-13-7-26-16-9(13)3-2-4-23-16/h2-4,6,13H,5,7H2,1H3,(H,24,25)
PDB

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n/an/a 1.58E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198987
PNG
(US9221832, 51)
Show SMILES Fc1ccc(CC(=O)NC2CCOc3ncccc23)c(F)c1
Show InChI InChI=1S/C16H14F2N2O2/c17-11-4-3-10(13(18)9-11)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
PDB

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n/an/a 1.70E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199004
PNG
(US9221832, 68)
Show SMILES Fc1cccc(c1CC(=O)NC1COc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C16H12F4N2O2/c17-12-5-1-4-11(16(18,19)20)10(12)7-14(23)22-13-8-24-15-9(13)3-2-6-21-15/h1-6,13H,7-8H2,(H,22,23)
PDB

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n/an/a 1.84E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198988
PNG
(US9221832, 52)
Show SMILES Fc1ccc(CC(=O)NC2CCOc3ncccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F4N2O2/c18-11-4-3-10(13(9-11)17(19,20)21)8-15(24)23-14-5-7-25-16-12(14)2-1-6-22-16/h1-4,6,9,14H,5,7-8H2,(H,23,24)
PDB

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n/an/a 1.87E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199017
PNG
(US9221832, 81)
Show SMILES Clc1ccc(C(CN2CCCC2)C(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2N3O2/c21-13-5-6-14(17(22)10-13)16(11-25-8-1-2-9-25)19(26)24-18-12-27-20-15(18)4-3-7-23-20/h3-7,10,16,18H,1-2,8-9,11-12H2,(H,24,26)
PDB

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n/an/a 1.97E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198980
PNG
(US9221832, 44)
Show SMILES Clc1ccccc1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C16H15ClN2O2/c17-13-6-2-1-4-11(13)10-15(20)19-14-7-9-21-16-12(14)5-3-8-18-16/h1-6,8,14H,7,9-10H2,(H,19,20)
PDB

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n/an/a 2.01E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199018
PNG
(US9221832, 82)
Show SMILES Fc1ccc(CCCC(=O)NC2COc3ncccc23)cc1
Show InChI InChI=1S/C17H17FN2O2/c18-13-8-6-12(7-9-13)3-1-5-16(21)20-15-11-22-17-14(15)4-2-10-19-17/h2,4,6-10,15H,1,3,5,11H2,(H,20,21)
PDB

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n/an/a 2.03E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198998
PNG
(US9221832, 62)
Show SMILES Cc1cc(CC(=O)NC2CCOc3ncccc23)on1
Show InChI InChI=1S/C14H15N3O3/c1-9-7-10(20-17-9)8-13(18)16-12-4-6-19-14-11(12)3-2-5-15-14/h2-3,5,7,12H,4,6,8H2,1H3,(H,16,18)
PDB

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n/an/a 2.08E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199080
PNG
(US9221832, 145)
Show SMILES Clc1ccc2C(CCc2c1)C(=O)NC1COc2ncccc12
Show InChI InChI=1S/C17H15ClN2O2/c18-11-4-6-12-10(8-11)3-5-13(12)16(21)20-15-9-22-17-14(15)2-1-7-19-17/h1-2,4,6-8,13,15H,3,5,9H2,(H,20,21)
PDB

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n/an/a 2.33E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199005
PNG
(US9221832, 69)
Show SMILES Fc1cc(CC(=O)NC2COc3ncccc23)ccc1OC(F)(F)F
Show InChI InChI=1S/C16H12F4N2O3/c17-11-6-9(3-4-13(11)25-16(18,19)20)7-14(23)22-12-8-24-15-10(12)2-1-5-21-15/h1-6,12H,7-8H2,(H,22,23)
PDB

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n/an/a 2.45E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199013
PNG
(US9221832, 77)
Show SMILES Fc1c(Cl)ccc(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C15H11Cl2FN2O2/c16-10-3-4-11(17)14(18)9(10)6-13(21)20-12-7-22-15-8(12)2-1-5-19-15/h1-5,12H,6-7H2,(H,20,21)
PDB

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n/an/a 2.48E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198986
PNG
(US9221832, 50)
Show SMILES Fc1cccc(Cl)c1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C16H14ClFN2O2/c17-12-4-1-5-13(18)11(12)9-15(21)20-14-6-8-22-16-10(14)3-2-7-19-16/h1-5,7,14H,6,8-9H2,(H,20,21)
PDB

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n/an/a 2.63E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198962
PNG
(US9221832, 26)
Show SMILES CC(C)(C(=O)NC1COc2ncccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-17(2,11-5-7-12(18)8-6-11)16(21)20-14-10-22-15-13(14)4-3-9-19-15/h3-9,14H,10H2,1-2H3,(H,20,21)
PDB

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n/an/a 2.78E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198946
PNG
(US9221832, 10)
Show SMILES O=C(Cc1ccccc1C#N)NC1COc2ncccc12
Show InChI InChI=1S/C16H13N3O2/c17-9-12-5-2-1-4-11(12)8-15(20)19-14-10-21-16-13(14)6-3-7-18-16/h1-7,14H,8,10H2,(H,19,20)
PDB

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n/an/a 2.98E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199001
PNG
(US9221832, 65)
Show SMILES Clc1ccc(CCC(=O)NC2CCOc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O2/c18-12-5-3-11(14(19)10-12)4-6-16(22)21-15-7-9-23-17-13(15)2-1-8-20-17/h1-3,5,8,10,15H,4,6-7,9H2,(H,21,22)
PDB

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n/an/a 3.02E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199007
PNG
(US9221832, 71)
Show SMILES FC(F)(F)c1ccc(Cl)c(Cl)c1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H11Cl2F3N2O2/c17-11-4-3-10(16(19,20)21)9(14(11)18)6-13(24)23-12-7-25-15-8(12)2-1-5-22-15/h1-5,12H,6-7H2,(H,23,24)
PDB

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n/an/a 3.23E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198984
PNG
(US9221832, 48)
Show SMILES O=C(Cc1ccc(Oc2ccccc2)cc1)NC1CCOc2ncccc12
Show InChI InChI=1S/C22H20N2O3/c25-21(24-20-12-14-26-22-19(20)7-4-13-23-22)15-16-8-10-18(11-9-16)27-17-5-2-1-3-6-17/h1-11,13,20H,12,14-15H2,(H,24,25)
PDB

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n/an/a 3.31E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198963
PNG
(US9221832, 27)
Show SMILES Clc1ccc(CCC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2/c17-11-5-3-10(13(18)8-11)4-6-15(21)20-14-9-22-16-12(14)2-1-7-19-16/h1-3,5,7-8,14H,4,6,9H2,(H,20,21)
PDB

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n/an/a 3.46E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199083
PNG
(US9221832, 149 | US9221832, 150)
Show SMILES Clc1ccc2CC(Cc2c1)C(=O)NC1COc2ncccc12
Show InChI InChI=1S/C17H15ClN2O2/c18-13-4-3-10-6-12(7-11(10)8-13)16(21)20-15-9-22-17-14(15)2-1-5-19-17/h1-5,8,12,15H,6-7,9H2,(H,20,21)
PDB

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n/an/a 4.69E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199070
PNG
(US9221832, 135)
Show SMILES COc1cc(C)nc2OCC(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C18H16ClF3N2O3/c1-9-6-13(26-2)15-12(8-27-17(15)23-9)24-14(25)7-10-4-3-5-11(16(10)19)18(20,21)22/h3-6,12H,7-8H2,1-2H3,(H,24,25)
PDB

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n/an/a>4.78E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199083
PNG
(US9221832, 149 | US9221832, 150)
Show SMILES Clc1ccc2CC(Cc2c1)C(=O)NC1COc2ncccc12
Show InChI InChI=1S/C17H15ClN2O2/c18-13-4-3-10-6-12(7-11(10)8-13)16(21)20-15-9-22-17-14(15)2-1-5-19-17/h1-5,8,12,15H,6-7,9H2,(H,20,21)
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 5.37E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198949
PNG
(US9221832, 13)
Show SMILES O=C(Cc1ccc(cc1)C#N)NC1COc2ncccc12
Show InChI InChI=1S/C16H13N3O2/c17-9-12-5-3-11(4-6-12)8-15(20)19-14-10-21-16-13(14)2-1-7-18-16/h1-7,14H,8,10H2,(H,19,20)
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n/an/a>5.42E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198950
PNG
(US9221832, 14)
Show SMILES Cc1ccc(CC(=O)NC2COc3ncccc23)cc1
Show InChI InChI=1S/C16H16N2O2/c1-11-4-6-12(7-5-11)9-15(19)18-14-10-20-16-13(14)3-2-8-17-16/h2-8,14H,9-10H2,1H3,(H,18,19)
PDB

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n/an/a>5.43E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198999
PNG
(US9221832, 63)
Show SMILES Cc1ccnn1CC(=O)NC1CCOc2ncccc12
Show InChI InChI=1S/C14H16N4O2/c1-10-4-7-16-18(10)9-13(19)17-12-5-8-20-14-11(12)3-2-6-15-14/h2-4,6-7,12H,5,8-9H2,1H3,(H,17,19)
PDB

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n/an/a>5.72E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198948
PNG
(US9221832, 12)
Show SMILES COc1ccccc1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H16N2O3/c1-20-14-7-3-2-5-11(14)9-15(19)18-13-10-21-16-12(13)6-4-8-17-16/h2-8,13H,9-10H2,1H3,(H,18,19)
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n/an/a>6.00E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198981
PNG
(US9221832, 45)
Show SMILES O=C(Cc1ccc(cc1)C#N)NC1CCOc2ncccc12
Show InChI InChI=1S/C17H15N3O2/c18-11-13-5-3-12(4-6-13)10-16(21)20-15-7-9-22-17-14(15)2-1-8-19-17/h1-6,8,15H,7,9-10H2,(H,20,21)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198955
PNG
(US9221832, 19)
Show SMILES COc1ccc(CC(=O)NC2COc3ncccc23)c(OC)c1
Show InChI InChI=1S/C17H18N2O4/c1-21-12-6-5-11(15(9-12)22-2)8-16(20)19-14-10-23-17-13(14)4-3-7-18-17/h3-7,9,14H,8,10H2,1-2H3,(H,19,20)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199085
PNG
(US9221832, 151)
Show SMILES Cc1cc(Cl)cc(Cl)c1CC(=O)NC1COc2nccc(c12)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F3N2O2/c1-8-4-9(18)5-12(19)10(8)6-14(25)24-13-7-26-16-15(13)11(2-3-23-16)17(20,21)22/h2-5,13H,6-7H2,1H3,(H,24,25)
PDB

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n/an/a 6.69E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM198979
PNG
(US9221832, 43)
Show SMILES FC(F)(F)c1ccc(Cl)cc1CC(=O)NC1COc2ncccc12
Show InChI InChI=1S/C16H12ClF3N2O2/c17-10-3-4-12(16(18,19)20)9(6-10)7-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-6,13H,7-8H2,(H,22,23)
PDB

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n/an/a 8.05E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199075
PNG
(US9221832, 140)
Show SMILES Clc1ccc(OCC(=O)NC2COc3ncccc23)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O3/c16-9-3-4-13(11(17)6-9)21-8-14(20)19-12-7-22-15-10(12)2-1-5-18-15/h1-6,12H,7-8H2,(H,19,20)
PDB

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n/an/a>8.41E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199076
PNG
(US9221832, 141)
Show SMILES Clc1ccc(OCC(=O)NC2COc3ncccc23)cc1Cl
Show InChI InChI=1S/C15H12Cl2N2O3/c16-11-4-3-9(6-12(11)17)21-8-14(20)19-13-7-22-15-10(13)2-1-5-18-15/h1-6,13H,7-8H2,(H,19,20)
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199077
PNG
(US9221832, 142)
Show SMILES Cc1ccc(OCC(=O)NC2COc3ncccc23)c(C)c1
Show InChI InChI=1S/C17H18N2O3/c1-11-5-6-15(12(2)8-11)21-10-16(20)19-14-9-22-17-13(14)4-3-7-18-17/h3-8,14H,9-10H2,1-2H3,(H,19,20)
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n/an/a>9.96E+3n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM199071
PNG
(US9221832, 136)
Show SMILES CCOc1cc(C)nc2OCC(NC(=O)Cc3cccc(c3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C19H18ClF3N2O3/c1-3-27-14-7-10(2)24-18-16(14)13(9-28-18)25-15(26)8-11-5-4-6-12(17(11)20)19(21,22)23/h4-7,13H,3,8-9H2,1-2H3,(H,25,26)
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whol...

US Patent US9221832 (2015)


BindingDB Entry DOI: 10.7270/Q2C53JPG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%