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USPatent US8697869

Compile data set for download or QSAR
Found 57 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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120045
PNG
(US8697869, 38)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C22H19F2N3O2S/c1-26(22-25-17-5-2-13(24)9-20(17)30-22)14-4-7-19-16(10-14)15-8-12(23)3-6-18(15)27(19)11-21(28)29/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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n/an/a 1.20n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120025
PNG
(US8697869, 18)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C22H19ClFN3O3/c1-26(22-25-17-8-12(23)2-7-20(17)30-22)14-4-6-19-16(10-14)15-9-13(24)3-5-18(15)27(19)11-21(28)29/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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US Patent
n/an/a 1.40n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120034
PNG
(US8697869, 27)
Show SMILES OC(=O)Cn1c2CC[C@@H](Cc2c2cc(F)ccc12)N(CC1CC1)c1ncc(Cl)cn1
Show InChI InChI=1S/C22H22ClFN4O2/c23-14-9-25-22(26-10-14)27(11-13-1-2-13)16-4-6-20-18(8-16)17-7-15(24)3-5-19(17)28(20)12-21(29)30/h3,5,7,9-10,13,16H,1-2,4,6,8,11-12H2,(H,29,30)/t16-/m0/s1
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n/an/a 1.70n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120031
PNG
(US8697869, 24)
Show SMILES CCN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C20H20ClFN4O2/c1-2-25(20-23-9-12(21)10-24-20)14-4-6-18-16(8-14)15-7-13(22)3-5-17(15)26(18)11-19(27)28/h3,5,7,9-10,14H,2,4,6,8,11H2,1H3,(H,27,28)/t14-/m0/s1
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n/an/a 1.70n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120060
PNG
(US8697869, 54)
Show SMILES CN(C1CCc2c(C1)c1cc(Cl)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-24(19-22-8-12(21)9-23-19)13-3-5-17-15(7-13)14-6-11(20)2-4-16(14)25(17)10-18(26)27/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)
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n/an/a 2n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120018
PNG
(US8697869, 11)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2/c1-27(19-25-8-11(9-26-19)20(22,23)24)13-3-5-17-15(7-13)14-6-12(21)2-4-16(14)28(17)10-18(29)30/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,29,30)/t13-/m0/s1
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n/an/a 2n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120047
PNG
(US8697869, 40)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C22H19ClFN3O3/c1-26(22-25-17-5-2-12(23)8-20(17)30-22)14-4-7-19-16(10-14)15-9-13(24)3-6-18(15)27(19)11-21(28)29/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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n/an/a 2n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120016
PNG
(US8697869, 42 | US8697869, 9)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C19H18ClFN4O2/c1-24(19-22-8-11(20)9-23-19)13-3-5-17-15(7-13)14-6-12(21)2-4-16(14)25(17)10-18(26)27/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)/t13-/m0/s1
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n/an/a 2.20n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120014
PNG
(US8697869, 7)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(F)cn1
Show InChI InChI=1S/C19H18F2N4O2/c1-24(19-22-8-12(21)9-23-19)13-3-5-17-15(7-13)14-6-11(20)2-4-16(14)25(17)10-18(26)27/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)/t13-/m0/s1
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n/an/a 2.5n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120016
PNG
(US8697869, 42 | US8697869, 9)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C19H18ClFN4O2/c1-24(19-22-8-11(20)9-23-19)13-3-5-17-15(7-13)14-6-12(21)2-4-16(14)25(17)10-18(26)27/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)/t13-/m0/s1
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n/an/a 2.70n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120046
PNG
(US8697869, 39)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2cc(F)ccc2s1
Show InChI InChI=1S/C22H19F2N3O2S/c1-26(22-25-17-9-13(24)3-7-20(17)30-22)14-4-6-19-16(10-14)15-8-12(23)2-5-18(15)27(19)11-21(28)29/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120064
PNG
(US8697869, 58)
Show SMILES CN(C1CCc2c(C1)c1cc(ccc1n2CC(O)=O)C(F)(F)F)c1ncc(Cl)cn1
Show InChI InChI=1S/C20H18ClF3N4O2/c1-27(19-25-8-12(21)9-26-19)13-3-5-17-15(7-13)14-6-11(20(22,23)24)2-4-16(14)28(17)10-18(29)30/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,29,30)
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n/an/a 3.5n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120032
PNG
(US8697869, 25)
Show SMILES CCCN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C21H22ClFN4O2/c1-2-7-26(21-24-10-13(22)11-25-21)15-4-6-19-17(9-15)16-8-14(23)3-5-18(16)27(19)12-20(28)29/h3,5,8,10-11,15H,2,4,6-7,9,12H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 3.90n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120036
PNG
(US8697869, 29)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2cc(F)ccc2o1
Show InChI InChI=1S/C22H19F2N3O3/c1-26(22-25-17-9-13(24)3-7-20(17)30-22)14-4-6-19-16(10-14)15-8-12(23)2-5-18(15)27(19)11-21(28)29/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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n/an/a 4.10n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120050
PNG
(US8697869, 43)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2ccc(F)cc2o1
Show InChI InChI=1S/C22H19F2N3O3/c1-26(22-25-17-5-2-13(24)9-20(17)30-22)14-4-7-19-16(10-14)15-8-12(23)3-6-18(15)27(19)11-21(28)29/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120063
PNG
(US8697869, 57)
Show SMILES COc1ccc2n(CC(O)=O)c3CCC(Cc3c2c1)N(C)c1ncc(Cl)cn1
Show InChI InChI=1S/C20H21ClN4O3/c1-24(20-22-9-12(21)10-23-20)13-3-5-17-15(7-13)16-8-14(28-2)4-6-18(16)25(17)11-19(26)27/h4,6,8-10,13H,3,5,7,11H2,1-2H3,(H,26,27)
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n/an/a 4.60n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120010
PNG
(US8697869, 3)
Show SMILES OC(=O)Cn1c2CC[C@@H](Cc2c2cc(F)ccc12)Nc1ncc(Cl)cn1
Show InChI InChI=1S/C18H16ClFN4O2/c19-10-7-21-18(22-8-10)23-12-2-4-16-14(6-12)13-5-11(20)1-3-15(13)24(16)9-17(25)26/h1,3,5,7-8,12H,2,4,6,9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120059
PNG
(US8697869, 53)
Show SMILES CN(C1CCc2c(C1)c1ccccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C19H19ClN4O2/c1-23(19-21-9-12(20)10-22-19)13-6-7-17-15(8-13)14-4-2-3-5-16(14)24(17)11-18(25)26/h2-5,9-10,13H,6-8,11H2,1H3,(H,25,26)
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120044
PNG
(US8697869, 37)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C20H19ClFN3O2/c1-24(19-7-2-12(21)10-23-19)14-4-6-18-16(9-14)15-8-13(22)3-5-17(15)25(18)11-20(26)27/h2-3,5,7-8,10,14H,4,6,9,11H2,1H3,(H,26,27)/t14-/m0/s1
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n/an/a 5.20n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120061
PNG
(US8697869, 55)
Show SMILES CN(C1CCc2c(C1)c1cc(C)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C20H21ClN4O2/c1-12-3-5-17-15(7-12)16-8-14(4-6-18(16)25(17)11-19(26)27)24(2)20-22-9-13(21)10-23-20/h3,5,7,9-10,14H,4,6,8,11H2,1-2H3,(H,26,27)
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n/an/a 5.5n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120041
PNG
(US8697869, 34)
Show SMILES COCCN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C21H22ClFN4O3/c1-30-7-6-26(21-24-10-13(22)11-25-21)15-3-5-19-17(9-15)16-8-14(23)2-4-18(16)27(19)12-20(28)29/h2,4,8,10-11,15H,3,5-7,9,12H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 5.90n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120057
PNG
(US8697869, 51)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ccon1
Show InChI InChI=1S/C18H18FN3O3/c1-21(17-6-7-25-20-17)12-3-5-16-14(9-12)13-8-11(19)2-4-15(13)22(16)10-18(23)24/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,23,24)
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n/an/a 6.40n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120039
PNG
(US8697869, 32)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C22H19ClFN3O2S/c1-26(22-25-17-5-2-12(23)8-20(17)30-22)14-4-7-19-16(10-14)15-9-13(24)3-6-18(15)27(19)11-21(28)29/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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n/an/a 6.70n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120038
PNG
(US8697869, 31)
Show SMILES COc1cnc(nc1)N(C)[C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O
Show InChI InChI=1S/C20H21FN4O3/c1-24(20-22-9-14(28-2)10-23-20)13-4-6-18-16(8-13)15-7-12(21)3-5-17(15)25(18)11-19(26)27/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,26,27)/t13-/m0/s1
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n/an/a 7.20n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120026
PNG
(US8697869, 19)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2ccccc2o1
Show InChI InChI=1S/C22H20FN3O3/c1-25(22-24-17-4-2-3-5-20(17)29-22)14-7-9-19-16(11-14)15-10-13(23)6-8-18(15)26(19)12-21(27)28/h2-6,8,10,14H,7,9,11-12H2,1H3,(H,27,28)/t14-/m0/s1
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n/an/a 7.30n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120058
PNG
(US8697869, 52)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1cc(C)on1
Show InChI InChI=1S/C19H20FN3O3/c1-11-7-18(21-26-11)22(2)13-4-6-17-15(9-13)14-8-12(20)3-5-16(14)23(17)10-19(24)25/h3,5,7-8,13H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 7.40n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120027
PNG
(US8697869, 20)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2ccccc2s1
Show InChI InChI=1S/C22H20FN3O2S/c1-25(22-24-17-4-2-3-5-20(17)29-22)14-7-9-19-16(11-14)15-10-13(23)6-8-18(15)26(19)12-21(27)28/h2-6,8,10,14H,7,9,11-12H2,1H3,(H,27,28)/t14-/m0/s1
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n/an/a 8.10n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120062
PNG
(US8697869, 56)
Show SMILES CN(C1CCc2c(C1)c1cc(OC(F)(F)F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C20H18ClF3N4O3/c1-27(19-25-8-11(21)9-26-19)12-2-4-16-14(6-12)15-7-13(31-20(22,23)24)3-5-17(15)28(16)10-18(29)30/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,29,30)
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n/an/a 8.80n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120042
PNG
(US8697869, 35)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H19F4N3O2/c1-27(19-7-2-12(10-26-19)21(23,24)25)14-4-6-18-16(9-14)15-8-13(22)3-5-17(15)28(18)11-20(29)30/h2-3,5,7-8,10,14H,4,6,9,11H2,1H3,(H,29,30)/t14-/m0/s1
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n/an/a 9.10n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120052
PNG
(US8697869, 45)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc(C)cs1
Show InChI InChI=1S/C19H20FN3O2S/c1-11-10-26-19(21-11)22(2)13-4-6-17-15(8-13)14-7-12(20)3-5-16(14)23(17)9-18(24)25/h3,5,7,10,13H,4,6,8-9H2,1-2H3,(H,24,25)
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n/an/a 9.70n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120043
PNG
(US8697869, 36)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ccc(F)cn1
Show InChI InChI=1S/C20H19F2N3O2/c1-24(19-7-3-13(22)10-23-19)14-4-6-18-16(9-14)15-8-12(21)2-5-17(15)25(18)11-20(26)27/h2-3,5,7-8,10,14H,4,6,9,11H2,1H3,(H,26,27)/t14-/m0/s1
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n/an/a 9.80n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120022
PNG
(US8697869, 15)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncccn1
Show InChI InChI=1S/C19H19FN4O2/c1-23(19-21-7-2-8-22-19)13-4-6-17-15(10-13)14-9-12(20)3-5-16(14)24(17)11-18(25)26/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H,25,26)/t13-/m0/s1
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n/an/a 9.90n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120040
PNG
(US8697869, 33)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C22H19ClFN3O2S/c1-26(22-25-17-8-12(23)2-7-20(17)30-22)14-4-6-19-16(10-14)15-9-13(24)3-5-18(15)27(19)11-21(28)29/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,28,29)/t14-/m0/s1
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n/an/a 10n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120051
PNG
(US8697869, 44)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H21FN4O2/c1-27(22-12-25-18-4-2-3-5-19(18)26-22)15-7-9-21-17(11-15)16-10-14(24)6-8-20(16)28(21)13-23(29)30/h2-6,8,10,12,15H,7,9,11,13H2,1H3,(H,29,30)/t15-/m0/s1
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n/an/a 11n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120037
PNG
(US8697869, 30)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(cn1)-c1ccccc1
Show InChI InChI=1S/C25H23FN4O2/c1-29(25-27-13-17(14-28-25)16-5-3-2-4-6-16)19-8-10-23-21(12-19)20-11-18(26)7-9-22(20)30(23)15-24(31)32/h2-7,9,11,13-14,19H,8,10,12,15H2,1H3,(H,31,32)/t19-/m0/s1
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n/an/a 11n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120035
PNG
(US8697869, 28)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc2ccccc2n1
Show InChI InChI=1S/C23H21FN4O2/c1-27(23-25-12-14-4-2-3-5-19(14)26-23)16-7-9-21-18(11-16)17-10-15(24)6-8-20(17)28(21)13-22(29)30/h2-6,8,10,12,16H,7,9,11,13H2,1H3,(H,29,30)/t16-/m0/s1
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n/an/a 12n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120020
PNG
(US8697869, 13)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2/c1-27(19-25-7-6-17(26-19)20(22,23)24)12-3-5-16-14(9-12)13-8-11(21)2-4-15(13)28(16)10-18(29)30/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,29,30)/t12-/m0/s1
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n/an/a 12n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120011
PNG
(US8697869, 4)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2cc(F)ccc12)Nc1ncc(Cl)cn1
Show InChI InChI=1S/C18H16ClFN4O2/c19-10-7-21-18(22-8-10)23-12-2-4-16-14(6-12)13-5-11(20)1-3-15(13)24(16)9-17(25)26/h1,3,5,7-8,12H,2,4,6,9H2,(H,25,26)(H,21,22,23)/t12-/m1/s1
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n/an/a 13n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120048
PNG
(US8697869, 41)
Show SMILES OC(=O)Cn1c2CC[C@@H](Cc2c2cc(F)ccc12)N(CC(F)F)c1ncc(Cl)cn1
Show InChI InChI=1S/C20H18ClF3N4O2/c21-11-7-25-20(26-8-11)27(9-18(23)24)13-2-4-17-15(6-13)14-5-12(22)1-3-16(14)28(17)10-19(29)30/h1,3,5,7-8,13,18H,2,4,6,9-10H2,(H,29,30)/t13-/m0/s1
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n/an/a 15n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120008
PNG
(US8697869, 1)
Show SMILES OC(=O)Cn1c2CC[C@@H](Cc2c2cc(F)ccc12)Nc1ncc(F)cn1
Show InChI InChI=1S/C18H16F2N4O2/c19-10-1-3-15-13(5-10)14-6-12(23-18-21-7-11(20)8-22-18)2-4-16(14)24(15)9-17(25)26/h1,3,5,7-8,12H,2,4,6,9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1
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n/an/a 16n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120029
PNG
(US8697869, 22)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc(nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O2/c1-31(22-15-4-2-3-5-18(15)29-23(30-22)24(26,27)28)14-7-9-20-17(11-14)16-10-13(25)6-8-19(16)32(20)12-21(33)34/h2-6,8,10,14H,7,9,11-12H2,1H3,(H,33,34)/t14-/m0/s1
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n/an/a 16n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120028
PNG
(US8697869, 21)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncnc2ccccc12
Show InChI InChI=1S/C23H21FN4O2/c1-27(23-16-4-2-3-5-19(16)25-13-26-23)15-7-9-21-18(11-15)17-10-14(24)6-8-20(17)28(21)12-22(29)30/h2-6,8,10,13,15H,7,9,11-12H2,1H3,(H,29,30)/t15-/m0/s1
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n/an/a 26n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120009
PNG
(US8697869, 2)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2cc(F)ccc12)Nc1ncc(F)cn1
Show InChI InChI=1S/C18H16F2N4O2/c19-10-1-3-15-13(5-10)14-6-12(23-18-21-7-11(20)8-22-18)2-4-16(14)24(15)9-17(25)26/h1,3,5,7-8,12H,2,4,6,9H2,(H,25,26)(H,21,22,23)/t12-/m1/s1
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n/an/a 27n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120012
PNG
(US8697869, 5)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2cc(F)ccc12)Nc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O2/c20-11-1-3-15-13(5-11)14-6-12(2-4-16(14)27(15)9-17(28)29)26-18-24-7-10(8-25-18)19(21,22)23/h1,3,5,7-8,12H,2,4,6,9H2,(H,28,29)(H,24,25,26)/t12-/m1/s1
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n/an/a 27n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120055
PNG
(US8697869, 49)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ccn(C)n1
Show InChI InChI=1S/C19H21FN4O2/c1-22-8-7-18(21-22)23(2)13-4-6-17-15(10-13)14-9-12(20)3-5-16(14)24(17)11-19(25)26/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,25,26)
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n/an/a 37n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120015
PNG
(US8697869, 8)
Show SMILES CN([C@@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(F)cn1
Show InChI InChI=1S/C19H18F2N4O2/c1-24(19-22-8-12(21)9-23-19)13-3-5-17-15(7-13)14-6-11(20)2-4-16(14)25(17)10-18(26)27/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)/t13-/m1/s1
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n/an/a 42n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120013
PNG
(US8697869, 6)
Show SMILES OC(=O)Cn1c2CC[C@H](Cc2c2cc(F)ccc12)Nc1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O2/c20-10-1-3-14-12(7-10)13-8-11(2-4-15(13)27(14)9-17(28)29)25-18-24-6-5-16(26-18)19(21,22)23/h1,3,5-7,11H,2,4,8-9H2,(H,28,29)(H,24,25,26)/t11-/m1/s1
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n/an/a 46n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120030
PNG
(US8697869, 23)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C24H23FN4O2/c1-14-26-20-6-4-3-5-17(20)24(27-14)28(2)16-8-10-22-19(12-16)18-11-15(25)7-9-21(18)29(22)13-23(30)31/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,30,31)/t16-/m0/s1
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n/an/a 55n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120017
PNG
(US8697869, 10)
Show SMILES CN([C@@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C19H18ClFN4O2/c1-24(19-22-8-11(20)9-23-19)13-3-5-17-15(7-13)14-6-12(21)2-4-16(14)25(17)10-18(26)27/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)/t13-/m1/s1
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n/an/a 58n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120021
PNG
(US8697869, 14)
Show SMILES CN([C@@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2/c1-27(19-25-7-6-17(26-19)20(22,23)24)12-3-5-16-14(9-12)13-8-11(21)2-4-15(13)28(16)10-18(29)30/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,29,30)/t12-/m1/s1
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n/an/a 67n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120054
PNG
(US8697869, 48)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1cc(on1)C(C)(C)C
Show InChI InChI=1S/C22H26FN3O3/c1-22(2,3)19-11-20(24-29-19)25(4)14-6-8-18-16(10-14)15-9-13(23)5-7-17(15)26(18)12-21(27)28/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,27,28)
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n/an/a 72n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120053
PNG
(US8697869, 46)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C22H26FN3O2S/c1-22(2,3)19-12-29-21(24-19)25(4)14-6-8-18-16(10-14)15-9-13(23)5-7-17(15)26(18)11-20(27)28/h5,7,9,12,14H,6,8,10-11H2,1-4H3,(H,27,28)
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n/an/a 73n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120024
PNG
(US8697869, 17)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nccc(C)n1
Show InChI InChI=1S/C20H21FN4O2/c1-12-7-8-22-20(23-12)24(2)14-4-6-18-16(10-14)15-9-13(21)3-5-17(15)25(18)11-19(26)27/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,26,27)/t14-/m0/s1
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n/an/a 107n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120023
PNG
(US8697869, 16)
Show SMILES CN([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nc(C)cc(C)n1
Show InChI InChI=1S/C21H23FN4O2/c1-12-8-13(2)24-21(23-12)25(3)15-5-7-19-17(10-15)16-9-14(22)4-6-18(16)26(19)11-20(27)28/h4,6,8-9,15H,5,7,10-11H2,1-3H3,(H,27,28)/t15-/m0/s1
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n/an/a 125n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120056
PNG
(US8697869, 50)
Show SMILES CN(C1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1nnc(C)s1
Show InChI InChI=1S/C18H19FN4O2S/c1-10-20-21-18(26-10)22(2)12-4-6-16-14(8-12)13-7-11(19)3-5-15(13)23(16)9-17(24)25/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,24,25)
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n/an/a 127n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120019
PNG
(US8697869, 12)
Show SMILES CN([C@@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H18F4N4O2/c1-27(19-25-8-11(9-26-19)20(22,23)24)13-3-5-17-15(7-13)14-6-12(21)2-4-16(14)28(17)10-18(29)30/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,29,30)/t13-/m1/s1
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n/an/a 141n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM120033
PNG
(US8697869, 26)
Show SMILES CC(C)N([C@H]1CCc2c(C1)c1cc(F)ccc1n2CC(O)=O)c1ncc(Cl)cn1
Show InChI InChI=1S/C21H22ClFN4O2/c1-12(2)27(21-24-9-13(22)10-25-21)15-4-6-19-17(8-15)16-7-14(23)3-5-18(16)26(19)11-20(28)29/h3,5,7,9-10,12,15H,4,6,8,11H2,1-2H3,(H,28,29)/t15-/m0/s1
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n/an/a 809n/an/an/an/a7.0n/a



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US8697869 (2014)


BindingDB Entry DOI: 10.7270/Q2251GVB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%