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USPatent US9169270

Compile data set for download or QSAR
Found 120 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))
BDBM189204
PNG
(US9169270, 76)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189192
PNG
(US9169270, 64)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1Cl
Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(25)2-3-16(12)24/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189201
PNG
(US9169270, 73)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1c(F)cccc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189187
PNG
(US9169270, 59)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-2-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-3-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189195
PNG
(US9169270, 67)
Show SMILES CC(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H23ClN2O5S/c1-12(2)6-8-27-20(26)23-7-5-15-19(29-11-22-15)18(23)14-9-13(21)3-4-16(14)28-10-17(24)25/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,24,25)/t18-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189196
PNG
(US9169270, 68)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(Cl)ccc1F
Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-3-16(25)12(7-13)9-32-22(30)27-6-5-17-21(33-11-26-17)20(27)15-8-14(24)2-4-18(15)31-10-19(28)29/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189199
PNG
(US9169270, 71)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189203
PNG
(US9169270, 75)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccccc1F
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189194
PNG
(US9169270, 66)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCC1CCCCC1
Show InChI InChI=1S/C22H25ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h6-7,10,13-14,20H,1-5,8-9,11-12H2,(H,26,27)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189191
PNG
(US9169270, 63)
Show SMILES Cc1ccc(COC(=O)N2CCc3ncsc3[C@H]2c2cc(Cl)ccc2OCC(O)=O)c(C)c1
Show InChI InChI=1S/C24H23ClN2O5S/c1-14-3-4-16(15(2)9-14)11-32-24(30)27-8-7-19-23(33-13-26-19)22(27)18-10-17(25)5-6-20(18)31-12-21(28)29/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3,(H,28,29)/t22-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189186
PNG
(US9169270, 58)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(24)2-3-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189209
PNG
(US9169270, 81)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H17Cl3N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189189
PNG
(US9169270, 61)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-3-6-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-1-4-15(24)5-2-13/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189200
PNG
(US9169270, 72)
Show SMILES Cc1cccc(COC(=O)N2CCc3ncsc3[C@H]2c2cc(Cl)ccc2OCC(O)=O)c1C
Show InChI InChI=1S/C24H23ClN2O5S/c1-14-4-3-5-16(15(14)2)11-32-24(30)27-9-8-19-23(33-13-26-19)22(27)18-10-17(25)6-7-20(18)31-12-21(28)29/h3-7,10,13,22H,8-9,11-12H2,1-2H3,(H,28,29)/t22-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189193
PNG
(US9169270, 65)
Show SMILES CC(C)(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H25ClN2O5S/c1-21(2,3)7-9-28-20(27)24-8-6-15-19(30-12-23-15)18(24)14-10-13(22)4-5-16(14)29-11-17(25)26/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,25,26)/t18-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189221
PNG
(US9169270, 93)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(24)2-3-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189202
PNG
(US9169270, 74)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCCCF
Show InChI InChI=1S/C18H18ClFN2O5S/c19-11-2-3-14(27-9-15(23)24)12(8-11)16-17-13(21-10-28-17)4-6-22(16)18(25)26-7-1-5-20/h2-3,8,10,16H,1,4-7,9H2,(H,23,24)/t16-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189138
PNG
(US9169270, 10)
Show SMILES Cc1nc2CCN([C@@H](c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C25H23ClN2O4S/c1-14-27-20-9-10-28(25(31)18-12-17(18)15-5-3-2-4-6-15)23(24(20)33-14)19-11-16(26)7-8-21(19)32-13-22(29)30/h2-8,11,17-18,23H,9-10,12-13H2,1H3,(H,29,30)/t17-,18+,23+/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189218
PNG
(US9169270, 90)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCn1ncc2ccccc12
Show InChI InChI=1S/C23H19ClN4O5S/c24-15-5-6-19(32-11-20(29)30)16(9-15)21-22-17(25-12-34-22)7-8-27(21)23(31)33-13-28-18-4-2-1-3-14(18)10-26-28/h1-6,9-10,12,21H,7-8,11,13H2,(H,29,30)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189214
PNG
(US9169270, 86)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N2O5S/c23-14-3-1-13(2-4-14)10-31-22(29)26-8-7-17-21(32-12-25-17)20(26)16-9-15(24)5-6-18(16)30-11-19(27)28/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189208
PNG
(US9169270, 80)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-3-6-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-1-4-15(24)5-2-13/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189188
PNG
(US9169270, 60)
Show SMILES CCC(C)(C)COC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H25ClN2O5S/c1-4-21(2,3)11-29-20(27)24-8-7-15-19(30-12-23-15)18(24)14-9-13(22)5-6-16(14)28-10-17(25)26/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3,(H,25,26)/t18-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189217
PNG
(US9169270, 89)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1c(F)cccc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189220
PNG
(US9169270, 92)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1Cl
Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(25)2-3-16(12)24/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189145
PNG
(US9169270, 17)
Show SMILES Nc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H20ClN3O5S/c23-14-6-7-17(30-12-18(27)28)15(10-14)19-20-16(25-21(24)32-20)8-9-26(19)22(29)31-11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2,(H2,24,25)(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189231
PNG
(US9169270, 103)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,26,27)/t20-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189205
PNG
(US9169270, 77)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCCc1cccc(F)c1
Show InChI InChI=1S/C23H20ClFN2O5S/c24-15-4-5-19(32-12-20(28)29)17(11-15)21-22-18(26-13-33-22)6-8-27(21)23(30)31-9-7-14-2-1-3-16(25)10-14/h1-5,10-11,13,21H,6-9,12H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189249
PNG
(US9169270, 5)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C24H21ClN2O4S/c25-15-6-7-20(31-12-21(28)29)18(10-15)22-23-19(26-13-32-23)8-9-27(22)24(30)17-11-16(17)14-4-2-1-3-5-14/h1-7,10,13,16-17,22H,8-9,11-12H2,(H,28,29)/t16-,17+,22+/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189211
PNG
(US9169270, 83)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-2-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-3-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189135
PNG
(US9169270, 7)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1
Show InChI InChI=1S/C24H20ClFN2O4S/c25-14-4-5-20(32-11-21(29)30)18(9-14)22-23-19(27-12-33-23)6-7-28(22)24(31)17-10-16(17)13-2-1-3-15(26)8-13/h1-5,8-9,12,16-17,22H,6-7,10-11H2,(H,29,30)/t16-,17+,22+/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189198
PNG
(US9169270, 70)
Show SMILES CCC(C)COC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H23ClN2O5S/c1-3-12(2)9-28-20(26)23-7-6-15-19(29-11-22-15)18(23)14-8-13(21)4-5-16(14)27-10-17(24)25/h4-5,8,11-12,18H,3,6-7,9-10H2,1-2H3,(H,24,25)/t12?,18-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189207
PNG
(US9169270, 79)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1F
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189148
PNG
(US9169270, 20)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2nc(Br)sc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H18BrClN2O5S/c23-21-25-16-8-9-26(22(29)31-11-13-4-2-1-3-5-13)19(20(16)32-21)15-10-14(24)6-7-17(15)30-12-18(27)28/h1-7,10,19H,8-9,11-12H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189234
PNG
(US9169270, 106)
Show SMILES OC(=O)COc1ccc(cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1)C#N
Show InChI InChI=1S/C23H19N3O5S/c24-11-16-6-7-19(30-13-20(27)28)17(10-16)21-22-18(25-14-32-22)8-9-26(21)23(29)31-12-15-4-2-1-3-5-15/h1-7,10,14,21H,8-9,12-13H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189212
PNG
(US9169270, 84)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2N2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189185
PNG
(US9169270, 57)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)\C=C\c1ccc(F)cc1F
Show InChI InChI=1S/C23H17ClF2N2O4S/c24-14-3-5-19(32-11-21(30)31)16(9-14)22-23-18(27-12-33-23)7-8-28(22)20(29)6-2-13-1-4-15(25)10-17(13)26/h1-6,9-10,12,22H,7-8,11H2,(H,30,31)/b6-2+
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189233
PNG
(US9169270, 105)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,26,27)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189219
PNG
(US9169270, 91)
Show SMILES CCn1nc(C)cc1CCOC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H25ClN4O5S/c1-3-28-16(10-14(2)26-28)7-9-32-23(31)27-8-6-18-22(34-13-25-18)21(27)17-11-15(24)4-5-19(17)33-12-20(29)30/h4-5,10-11,13,21H,3,6-9,12H2,1-2H3,(H,29,30)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189150
PNG
(US9169270, 22)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@@H]1N(CCc2ncsc12)C(=O)C1CC1c1ccccc1
Show InChI InChI=1S/C24H21ClN2O4S/c25-15-6-7-20(31-12-21(28)29)18(10-15)22-23-19(26-13-32-23)8-9-27(22)24(30)17-11-16(17)14-4-2-1-3-5-14/h1-7,10,13,16-17,22H,8-9,11-12H2,(H,28,29)/t16?,17?,22-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189197
PNG
(US9169270, 69)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCC1CCC1
Show InChI InChI=1S/C20H21ClN2O5S/c21-13-4-5-16(27-10-17(24)25)14(8-13)18-19-15(22-11-29-19)6-7-23(18)20(26)28-9-12-2-1-3-12/h4-5,8,11-12,18H,1-3,6-7,9-10H2,(H,24,25)/t18-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189206
PNG
(US9169270, 78)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189147
PNG
(US9169270, 19)
Show SMILES Cc1nc2CCN([C@@H](c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5S/c1-14-25-18-9-10-26(23(29)31-12-15-5-3-2-4-6-15)21(22(18)32-14)17-11-16(24)7-8-19(17)30-13-20(27)28/h2-8,11,21H,9-10,12-13H2,1H3,(H,27,28)/t21-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189190
PNG
(US9169270, 62)
Show SMILES COC(C)(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H25ClN2O6S/c1-21(2,28-3)7-9-29-20(27)24-8-6-15-19(31-12-23-15)18(24)14-10-13(22)4-5-16(14)30-11-17(25)26/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,25,26)/t18-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189136
PNG
(US9169270, 8)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C24H20ClFN2O4S/c25-14-3-6-20(32-11-21(29)30)18(9-14)22-23-19(27-12-33-23)7-8-28(22)24(31)17-10-16(17)13-1-4-15(26)5-2-13/h1-6,9,12,16-17,22H,7-8,10-11H2,(H,29,30)/t16-,17+,22+/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189159
PNG
(US9169270, 31)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)COCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-15-5-6-19(32-12-21(29)30)16(9-15)22-23-18(26-13-33-23)7-8-27(22)20(28)11-31-10-14-3-1-2-4-17(14)25/h1-6,9,13,22H,7-8,10-12H2,(H,29,30)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189225
PNG
(US9169270, 97)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1nc2ccccc2o1
Show InChI InChI=1S/C23H18ClN3O6S/c24-13-5-6-17(31-11-20(28)29)14(9-13)21-22-16(25-12-34-22)7-8-27(21)23(30)32-10-19-26-15-3-1-2-4-18(15)33-19/h1-6,9,12,21H,7-8,10-11H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189237
PNG
(US9169270, 109)
Show SMILES COc1ccccc1CNC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H22ClN3O5S/c1-31-18-5-3-2-4-14(18)11-25-23(30)27-9-8-17-22(33-13-26-17)21(27)16-10-15(24)6-7-19(16)32-12-20(28)29/h2-7,10,13,21H,8-9,11-12H2,1H3,(H,25,30)(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189235
PNG
(US9169270, 107)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H22ClN3O4S/c24-16-6-7-19(31-13-20(28)29)17(12-16)21-22-18(26-14-32-22)9-11-27(21)23(30)25-10-8-15-4-2-1-3-5-15/h1-7,12,14,21H,8-11,13H2,(H,25,30)(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189229
PNG
(US9169270, 101)
Show SMILES Cc1cccc(COC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c1C
Show InChI InChI=1S/C24H23ClN2O5S/c1-14-4-3-5-16(15(14)2)11-32-24(30)27-9-8-19-23(33-13-26-19)22(27)18-10-17(25)6-7-20(18)31-12-21(28)29/h3-7,10,13,22H,8-9,11-12H2,1-2H3,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189143
PNG
(US9169270, 15)
Show SMILES Cc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5S/c1-14-25-18-9-10-26(23(29)31-12-15-5-3-2-4-6-15)21(22(18)32-14)17-11-16(24)7-8-19(17)30-13-20(27)28/h2-8,11,21H,9-10,12-13H2,1H3,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189174
PNG
(US9169270, 46)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H23ClN2O4S/c26-18-5-6-21(32-13-23(30)31)19(12-18)24-25-20(27-14-33-25)7-8-28(24)22(29)11-15-9-16-3-1-2-4-17(16)10-15/h1-6,12,14-15,24H,7-11,13H2,(H,30,31)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189216
PNG
(US9169270, 88)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5S/c24-16-6-7-19(31-13-20(27)28)17(12-16)21-22-18(25-14-32-22)8-10-26(21)23(29)30-11-9-15-4-2-1-3-5-15/h1-7,12,14,21H,8-11,13H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189151
PNG
(US9169270, 23)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@@H]1N(CCc2ncsc12)C(=O)C1CC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N2O4S/c26-13-5-6-20(35-11-21(32)33)17(9-13)22-23-19(30-12-36-23)7-8-31(22)24(34)16-10-15(16)14-3-1-2-4-18(14)25(27,28)29/h1-6,9,12,15-16,22H,7-8,10-11H2,(H,32,33)/t15?,16?,22-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189153
PNG
(US9169270, 25)
Show SMILES Cc1ccccc1C1CC1C(=O)N1CCc2ncsc2[C@@H]1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H23ClN2O4S/c1-14-4-2-3-5-16(14)17-11-18(17)25(31)28-9-8-20-24(33-13-27-20)23(28)19-10-15(26)6-7-21(19)32-12-22(29)30/h2-7,10,13,17-18,23H,8-9,11-12H2,1H3,(H,29,30)/t17?,18?,23-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189140
PNG
(US9169270, 12)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2nc(sc12)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H18ClF3N2O5S/c24-14-6-7-17(33-12-18(30)31)15(10-14)19-20-16(28-21(35-20)23(25,26)27)8-9-29(19)22(32)34-11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2,(H,30,31)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189213
PNG
(US9169270, 85)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cccc(Cl)c1
Show InChI InChI=1S/C22H18Cl2N2O5S/c23-14-3-1-2-13(8-14)10-31-22(29)26-7-6-17-21(32-12-25-17)20(26)16-9-15(24)4-5-18(16)30-11-19(27)28/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189228
PNG
(US9169270, 100)
Show SMILES Cc1ccc(COC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c(C)c1
Show InChI InChI=1S/C24H23ClN2O5S/c1-14-3-4-16(15(2)9-14)11-32-24(30)27-8-7-19-23(33-13-26-19)22(27)18-10-17(25)5-6-20(18)31-12-21(28)29/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189152
PNG
(US9169270, 24)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@@H]1N(CCc2ncsc12)C(=O)C1CC1c1ccccc1Cl
Show InChI InChI=1S/C24H20Cl2N2O4S/c25-13-5-6-20(32-11-21(29)30)17(9-13)22-23-19(27-12-33-23)7-8-28(22)24(31)16-10-15(16)14-3-1-2-4-18(14)26/h1-6,9,12,15-16,22H,7-8,10-11H2,(H,29,30)/t15?,16?,22-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189158
PNG
(US9169270, 30)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CCCc1ccccc1F
Show InChI InChI=1S/C24H22ClFN2O4S/c25-16-8-9-20(32-13-22(30)31)17(12-16)23-24-19(27-14-33-24)10-11-28(23)21(29)7-3-5-15-4-1-2-6-18(15)26/h1-2,4,6,8-9,12,14,23H,3,5,7,10-11,13H2,(H,30,31)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189230
PNG
(US9169270, 102)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cc(Cl)ccc1F
Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-3-16(25)12(7-13)9-32-22(30)27-6-5-17-21(33-11-26-17)20(27)15-8-14(24)2-4-18(15)31-10-19(28)29/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189246
PNG
(US9169270, 118)
Show SMILES OC(=O)COc1ccc(F)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H19FN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,26,27)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189210
PNG
(US9169270, 82)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1F
Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)
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n/an/a 8.5n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189215
PNG
(US9169270, 87)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H17Cl3N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)
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n/an/a 8.70n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189236
PNG
(US9169270, 108)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N3O4S/c23-14-5-6-18(31-11-19(28)29)15(9-14)20-21-17(26-12-32-21)7-8-27(20)22(30)25-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,25,30)(H,28,29)
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n/an/a 8.90n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189224
PNG
(US9169270, 96)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCC1CCCCC1
Show InChI InChI=1S/C22H25ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h6-7,10,13-14,20H,1-5,8-9,11-12H2,(H,26,27)
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n/an/a 9.20n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189131
PNG
(US9169270, 1)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C22H19ClFN3O4S/c23-14-5-6-18(31-11-19(28)29)15(9-14)20-21-17(26-12-32-21)7-8-27(20)22(30)25-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,25,30)(H,28,29)
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n/an/a 9.40n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189238
PNG
(US9169270, 110)
Show SMILES COc1ccccc1CNC(=S)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C23H22ClN3O4S2/c1-30-18-5-3-2-4-14(18)11-25-23(32)27-9-8-17-22(33-13-26-17)21(27)16-10-15(24)6-7-19(16)31-12-20(28)29/h2-7,10,13,21H,8-9,11-12H2,1H3,(H,25,32)(H,28,29)
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n/an/a 9.5n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189179
PNG
(US9169270, 51)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CCCc1ccc(F)cc1
Show InChI InChI=1S/C24H22ClFN2O4S/c25-16-6-9-20(32-13-22(30)31)18(12-16)23-24-19(27-14-33-24)10-11-28(23)21(29)3-1-2-15-4-7-17(26)8-5-15/h4-9,12,14,23H,1-3,10-11,13H2,(H,30,31)
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n/an/a 9.70n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189227
PNG
(US9169270, 99)
Show SMILES CCCCOC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H21ClN2O5S/c1-2-3-8-26-19(25)22-7-6-14-18(28-11-21-14)17(22)13-9-12(20)4-5-15(13)27-10-16(23)24/h4-5,9,11,17H,2-3,6-8,10H2,1H3,(H,23,24)
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n/an/a 11.8n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189166
PNG
(US9169270, 38)
Show SMILES C[C@H](CC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-15(16-5-3-2-4-6-16)11-21(28)27-10-9-19-24(32-14-26-19)23(27)18-12-17(25)7-8-20(18)31-13-22(29)30/h2-8,12,14-15,23H,9-11,13H2,1H3,(H,29,30)/t15-,23?/m1/s1
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n/an/a 12.2n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189178
PNG
(US9169270, 50)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C26H21ClN2O4S/c27-18-8-9-22(33-14-24(31)32)20(13-18)25-26-21(28-15-34-26)10-11-29(25)23(30)12-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,13,15,25H,10-12,14H2,(H,31,32)
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n/an/a 12.6n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189144
PNG
(US9169270, 16)
Show SMILES CCc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H23ClN2O5S/c1-2-20-26-18-10-11-27(24(30)32-13-15-6-4-3-5-7-15)22(23(18)33-20)17-12-16(25)8-9-19(17)31-14-21(28)29/h3-9,12,22H,2,10-11,13-14H2,1H3,(H,28,29)
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n/an/a 14.2n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189181
PNG
(US9169270, 53)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CCN1CCCc2ccccc12
Show InChI InChI=1S/C26H26ClN3O4S/c27-18-7-8-22(34-15-24(32)33)19(14-18)25-26-20(28-16-35-26)9-13-30(25)23(31)10-12-29-11-3-5-17-4-1-2-6-21(17)29/h1-2,4,6-8,14,16,25H,3,5,9-13,15H2,(H,32,33)
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n/an/a 14.4n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189156
PNG
(US9169270, 28)
Show SMILES Cn1cc(CCC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c2ccccc12
Show InChI InChI=1S/C26H24ClN3O4S/c1-29-13-16(18-4-2-3-5-21(18)29)6-9-23(31)30-11-10-20-26(35-15-28-20)25(30)19-12-17(27)7-8-22(19)34-14-24(32)33/h2-5,7-8,12-13,15,25H,6,9-11,14H2,1H3,(H,32,33)
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n/an/a 15.7n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189177
PNG
(US9169270, 49)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C26H21ClN2O4S/c27-19-7-8-22(33-14-24(31)32)20(13-19)25-26-21(28-15-34-26)9-10-29(25)23(30)12-16-5-6-17-3-1-2-4-18(17)11-16/h1-8,11,13,15,25H,9-10,12,14H2,(H,31,32)
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n/an/a 15.8n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189222
PNG
(US9169270, 94)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H17Cl3N2O5S/c23-13-3-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-2-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)
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n/an/a 17.1n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189180
PNG
(US9169270, 52)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CCN1CCc2ccccc12
Show InChI InChI=1S/C25H24ClN3O4S/c26-17-5-6-21(33-14-23(31)32)18(13-17)24-25-19(27-15-34-25)8-12-29(24)22(30)9-11-28-10-7-16-3-1-2-4-20(16)28/h1-6,13,15,24H,7-12,14H2,(H,31,32)
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n/an/a 17.7n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189226
PNG
(US9169270, 98)
Show SMILES CC(C)COC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C19H21ClN2O5S/c1-11(2)8-27-19(25)22-6-5-14-18(28-10-21-14)17(22)13-7-12(20)3-4-15(13)26-9-16(23)24/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3,(H,23,24)
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n/an/a 17.8n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189161
PNG
(US9169270, 33)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CCn1ncc2ccccc12
Show InChI InChI=1S/C24H21ClN4O4S/c25-16-5-6-20(33-13-22(31)32)17(11-16)23-24-18(26-14-34-24)7-9-28(23)21(30)8-10-29-19-4-2-1-3-15(19)12-27-29/h1-6,11-12,14,23H,7-10,13H2,(H,31,32)
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n/an/a 18n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189247
PNG
(US9169270, 119)
Show SMILES C[C@@H](Oc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H21ClN2O5S/c1-14(22(27)28)31-19-8-7-16(24)11-17(19)20-21-18(25-13-32-21)9-10-26(20)23(29)30-12-15-5-3-2-4-6-15/h2-8,11,13-14,20H,9-10,12H2,1H3,(H,27,28)/t14-,20?/m1/s1
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n/an/a 18.5n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189149
PNG
(US9169270, 21)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CCOc1ccc(F)cc1
Show InChI InChI=1S/C23H20ClFN2O5S/c24-14-1-6-19(32-12-21(29)30)17(11-14)22-23-18(26-13-33-23)7-9-27(22)20(28)8-10-31-16-4-2-15(25)3-5-16/h1-6,11,13,22H,7-10,12H2,(H,29,30)
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n/an/a 19.6n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189183
PNG
(US9169270, 55)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C23H18ClFN2O4S/c24-15-4-7-19(31-12-21(29)30)17(11-15)22-23-18(26-13-32-23)9-10-27(22)20(28)8-3-14-1-5-16(25)6-2-14/h1-8,11,13,22H,9-10,12H2,(H,29,30)/b8-3+
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189157
PNG
(US9169270, 29)
Show SMILES Cc1ccccc1CCC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C24H23ClN2O4S/c1-15-4-2-3-5-16(15)6-9-21(28)27-11-10-19-24(32-14-26-19)23(27)18-12-17(25)7-8-20(18)31-13-22(29)30/h2-5,7-8,12,14,23H,6,9-11,13H2,1H3,(H,29,30)
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n/an/a 25.6n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189240
PNG
(US9169270, 112)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2nc(sc12)-c1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H23ClN2O5S/c29-20-11-12-23(35-17-24(32)33)21(15-20)25-26-22(30-27(37-26)19-9-5-2-6-10-19)13-14-31(25)28(34)36-16-18-7-3-1-4-8-18/h1-12,15,25H,13-14,16-17H2,(H,32,33)
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n/an/a 30.9n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189223
PNG
(US9169270, 95)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cnccn1
Show InChI InChI=1S/C20H17ClN4O5S/c21-12-1-2-16(29-10-17(26)27)14(7-12)18-19-15(24-11-31-19)3-6-25(18)20(28)30-9-13-8-22-4-5-23-13/h1-2,4-5,7-8,11,18H,3,6,9-10H2,(H,26,27)
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n/an/a 32.2n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189175
PNG
(US9169270, 47)
Show SMILES CC1(C)CC1C(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H21ClN2O4S/c1-20(2)8-13(20)19(26)23-6-5-14-18(28-10-22-14)17(23)12-7-11(21)3-4-15(12)27-9-16(24)25/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3,(H,24,25)
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n/an/a 37.1n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189132
PNG
(US9169270, 2)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C22H19ClFN3O4S/c23-14-4-5-18(31-11-19(28)29)16(9-14)20-21-17(26-12-32-21)6-7-27(20)22(30)25-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,25,30)(H,28,29)
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n/an/a 38.9n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189182
PNG
(US9169270, 54)
Show SMILES COc1ccc(\C=C\C(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)cc1
Show InChI InChI=1S/C24H21ClN2O5S/c1-31-17-6-2-15(3-7-17)4-9-21(28)27-11-10-19-24(33-14-26-19)23(27)18-12-16(25)5-8-20(18)32-13-22(29)30/h2-9,12,14,23H,10-11,13H2,1H3,(H,29,30)/b9-4+
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n/an/a 41.2n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189154
PNG
(US9169270, 26)
Show SMILES COc1ccc2[nH]cc(CCC(=O)N3CCc4ncsc4C3c3cc(Cl)ccc3OCC(O)=O)c2c1
Show InChI InChI=1S/C26H24ClN3O5S/c1-34-17-4-5-20-18(11-17)15(12-28-20)2-7-23(31)30-9-8-21-26(36-14-29-21)25(30)19-10-16(27)3-6-22(19)35-13-24(32)33/h3-6,10-12,14,25,28H,2,7-9,13H2,1H3,(H,32,33)
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n/an/a 45.1n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189172
PNG
(US9169270, 44)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)Cc1n[nH]c2ccccc12
Show InChI InChI=1S/C23H19ClN4O4S/c24-13-5-6-19(32-11-21(30)31)15(9-13)22-23-17(25-12-33-23)7-8-28(22)20(29)10-18-14-3-1-2-4-16(14)26-27-18/h1-6,9,12,22H,7-8,10-11H2,(H,26,27)(H,30,31)
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n/an/a 48.1n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189173
PNG
(US9169270, 45)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C23H19ClN2O4S/c24-16-7-8-19(30-13-21(28)29)17(12-16)22-23-18(25-14-31-23)10-11-26(22)20(27)9-6-15-4-2-1-3-5-15/h1-9,12,14,22H,10-11,13H2,(H,28,29)/b9-6+
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n/an/a 59.6n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189134
PNG
(US9169270, 4)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H20ClN3O4S/c23-15-6-7-18(30-12-19(27)28)16(10-15)20-21-17(25-13-31-21)8-9-26(20)22(29)24-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,24,29)(H,27,28)
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n/an/a 62n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189248
PNG
(US9169270, 120)
Show SMILES C[C@H](Oc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H21ClN2O5S/c1-14(22(27)28)31-19-8-7-16(24)11-17(19)20-21-18(25-13-32-21)9-10-26(20)23(29)30-12-15-5-3-2-4-6-15/h2-8,11,13-14,20H,9-10,12H2,1H3,(H,27,28)/t14-,20?/m0/s1
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n/an/a 64.4n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189141
PNG
(US9169270, 13)
Show SMILES CC(C)c1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H25ClN2O5S/c1-15(2)24-27-19-10-11-28(25(31)33-13-16-6-4-3-5-7-16)22(23(19)34-24)18-12-17(26)8-9-20(18)32-14-21(29)30/h3-9,12,15,22H,10-11,13-14H2,1-2H3,(H,29,30)
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n/an/a 64.8n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189142
PNG
(US9169270, 14)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2nc(sc12)C1CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H23ClN2O5S/c26-17-8-9-20(32-14-21(29)30)18(12-17)22-23-19(27-24(34-23)16-6-7-16)10-11-28(22)25(31)33-13-15-4-2-1-3-5-15/h1-5,8-9,12,16,22H,6-7,10-11,13-14H2,(H,29,30)
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n/an/a 65.7n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189184
PNG
(US9169270, 56)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)cc1
Show InChI InChI=1S/C24H21ClN2O4S/c1-15-2-4-16(5-3-15)6-9-21(28)27-11-10-19-24(32-14-26-19)23(27)18-12-17(25)7-8-20(18)31-13-22(29)30/h2-9,12,14,23H,10-11,13H2,1H3,(H,29,30)/b9-6+
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n/an/a 71.9n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189176
PNG
(US9169270, 48)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CC1CCCCC1
Show InChI InChI=1S/C22H25ClN2O4S/c23-15-6-7-18(29-12-20(27)28)16(11-15)21-22-17(24-13-30-22)8-9-25(21)19(26)10-14-4-2-1-3-5-14/h6-7,11,13-14,21H,1-5,8-10,12H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189160
PNG
(US9169270, 32)
Show SMILES Cc1ccc(OCC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c(C)n1
Show InChI InChI=1S/C23H22ClN3O5S/c1-13-3-5-18(14(2)26-13)31-10-20(28)27-8-7-17-23(33-12-25-17)22(27)16-9-15(24)4-6-19(16)32-11-21(29)30/h3-6,9,12,22H,7-8,10-11H2,1-2H3,(H,29,30)
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n/an/a 83.2n/an/an/an/an/an/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189169
PNG
(US9169270, 41)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CC1CC1
Show InChI InChI=1S/C19H19ClN2O4S/c20-12-3-4-15(26-9-17(24)25)13(8-12)18-19-14(21-10-27-19)5-6-22(18)16(23)7-11-1-2-11/h3-4,8,10-11,18H,1-2,5-7,9H2,(H,24,25)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189239
PNG
(US9169270, 111)
Show SMILES CCCc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H25ClN2O5S/c1-2-6-21-27-19-11-12-28(25(31)33-14-16-7-4-3-5-8-16)23(24(19)34-21)18-13-17(26)9-10-20(18)32-15-22(29)30/h3-5,7-10,13,23H,2,6,11-12,14-15H2,1H3,(H,29,30)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189162
PNG
(US9169270, 34)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)COc1ccccc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-14-6-7-18(30-12-20(27)28)16(10-14)21-22-17(24-13-31-22)8-9-25(21)19(26)11-29-15-4-2-1-3-5-15/h1-7,10,13,21H,8-9,11-12H2,(H,27,28)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189167
PNG
(US9169270, 39)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CC1OCCc2ccccc12
Show InChI InChI=1S/C25H23ClN2O5S/c26-16-5-6-20(33-13-23(30)31)18(11-16)24-25-19(27-14-34-25)7-9-28(24)22(29)12-21-17-4-2-1-3-15(17)8-10-32-21/h1-6,11,14,21,24H,7-10,12-13H2,(H,30,31)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189133
PNG
(US9169270, 3)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C22H19ClFN3O4S/c23-14-3-6-18(31-11-19(28)29)16(9-14)20-21-17(26-12-32-21)7-8-27(20)22(30)25-10-13-1-4-15(24)5-2-13/h1-6,9,12,20H,7-8,10-11H2,(H,25,30)(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189165
PNG
(US9169270, 37)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)CC1(CC1)c1ccccc1
Show InChI InChI=1S/C25H23ClN2O4S/c26-17-6-7-20(32-14-22(30)31)18(12-17)23-24-19(27-15-33-24)8-11-28(23)21(29)13-25(9-10-25)16-4-2-1-3-5-16/h1-7,12,15,23H,8-11,13-14H2,(H,30,31)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189245
PNG
(US9169270, 117)
Show SMILES CN(C)c1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H24ClN3O5S/c1-27(2)23-26-18-10-11-28(24(31)33-13-15-6-4-3-5-7-15)21(22(18)34-23)17-12-16(25)8-9-19(17)32-14-20(29)30/h3-9,12,21H,10-11,13-14H2,1-2H3,(H,29,30)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189155
PNG
(US9169270, 27)
Show SMILES Cc1[nH]c2ccccc2c1CCC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C26H24ClN3O4S/c1-15-17(18-4-2-3-5-20(18)29-15)7-9-23(31)30-11-10-21-26(35-14-28-21)25(30)19-12-16(27)6-8-22(19)34-13-24(32)33/h2-6,8,12,14,25,29H,7,9-11,13H2,1H3,(H,32,33)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189241
PNG
(US9169270, 113)
Show SMILES CS(=O)(=O)Nc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H22ClN3O7S2/c1-36(31,32)26-22-25-17-9-10-27(23(30)34-12-14-5-3-2-4-6-14)20(21(17)35-22)16-11-15(24)7-8-18(16)33-13-19(28)29/h2-8,11,20H,9-10,12-13H2,1H3,(H,25,26)(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189232
PNG
(US9169270, 104)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@@H]1N(CCc2ncsc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,26,27)/t20-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189163
PNG
(US9169270, 35)
Show SMILES C[C@@H](CC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-15(16-5-3-2-4-6-16)11-21(28)27-10-9-19-24(32-14-26-19)23(27)18-12-17(25)7-8-20(18)31-13-22(29)30/h2-8,12,14-15,23H,9-11,13H2,1H3,(H,29,30)/t15-,23?/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189137
PNG
(US9169270, 9)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C24H20ClFN2O4S/c25-14-3-6-20(32-11-21(29)30)18(9-14)22-23-19(27-12-33-23)7-8-28(22)24(31)17-10-16(17)13-1-4-15(26)5-2-13/h1-6,9,12,16-17,22H,7-8,10-11H2,(H,29,30)/t16-,17+,22-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189171
PNG
(US9169270, 43)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)C1CC1
Show InChI InChI=1S/C18H17ClN2O4S/c19-11-3-4-14(25-8-15(22)23)12(7-11)16-17-13(20-9-26-17)5-6-21(16)18(24)10-1-2-10/h3-4,7,9-10,16H,1-2,5-6,8H2,(H,22,23)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189243
PNG
(US9169270, 115)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2nc(NC(=O)C3CC3)sc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H24ClN3O6S/c27-17-8-9-20(35-14-21(31)32)18(12-17)22-23-19(28-25(37-23)29-24(33)16-6-7-16)10-11-30(22)26(34)36-13-15-4-2-1-3-5-15/h1-5,8-9,12,16,22H,6-7,10-11,13-14H2,(H,31,32)(H,28,29,33)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189139
PNG
(US9169270, 11)
Show SMILES Cc1nc2CCN([C@H](c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C25H23ClN2O4S/c1-14-27-20-9-10-28(25(31)18-12-17(18)15-5-3-2-4-6-15)23(24(20)33-14)19-11-16(26)7-8-21(19)32-13-22(29)30/h2-8,11,17-18,23H,9-10,12-13H2,1H3,(H,29,30)/t17-,18+,23-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189146
PNG
(US9169270, 18)
Show SMILES Cc1nc2CCN([C@H](c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5S/c1-14-25-18-9-10-26(23(29)31-12-15-5-3-2-4-6-15)21(22(18)32-14)17-11-16(24)7-8-19(17)30-13-20(27)28/h2-8,11,21H,9-10,12-13H2,1H3,(H,27,28)/t21-/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189242
PNG
(US9169270, 114)
Show SMILES OC(=O)COc1ccc(Cl)cc1N(C1N(CCc2ncsc12)C(=O)OCc1ccccc1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H24ClN3O7S2/c26-17-6-9-21(35-14-22(30)31)20(12-17)29(38(33,34)18-7-8-18)24-23-19(27-15-37-23)10-11-28(24)25(32)36-13-16-4-2-1-3-5-16/h1-6,9,12,15,18,24H,7-8,10-11,13-14H2,(H,30,31)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189164
PNG
(US9169270, 36)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C24H21ClN2O4S/c25-17-5-6-20(31-12-21(28)29)18(11-17)22-23-19(26-13-32-23)7-8-27(22)24(30)16-9-14-3-1-2-4-15(14)10-16/h1-6,11,13,16,22H,7-10,12H2,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189244
PNG
(US9169270, 116)
Show SMILES CC(=O)Nc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H22ClN3O6S/c1-14(29)26-23-27-18-9-10-28(24(32)34-12-15-5-3-2-4-6-15)21(22(18)35-23)17-11-16(25)7-8-19(17)33-13-20(30)31/h2-8,11,21H,9-10,12-13H2,1H3,(H,30,31)(H,26,27,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189250
PNG
(US9169270, 6)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C24H21ClN2O4S/c25-15-6-7-20(31-12-21(28)29)18(10-15)22-23-19(26-13-32-23)8-9-27(22)24(30)17-11-16(17)14-4-2-1-3-5-14/h1-7,10,13,16-17,22H,8-9,11-12H2,(H,28,29)/t16-,17+,22-/m1/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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189170
PNG
(US9169270, 42)
Show SMILES Cc1noc(C)c1CCC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C22H22ClN3O5S/c1-12-15(13(2)31-25-12)4-6-19(27)26-8-7-17-22(32-11-24-17)21(26)16-9-14(23)3-5-18(16)30-10-20(28)29/h3,5,9,11,21H,4,6-8,10H2,1-2H3,(H,28,29)
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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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189168
PNG
(US9169270, 40)
Show SMILES CC(C)(C)CC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C20H23ClN2O4S/c1-20(2,3)9-16(24)23-7-6-14-19(28-11-22-14)18(23)13-8-12(21)4-5-15(13)27-10-17(25)26/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(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 US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%