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USPatent US8791100

Compile data set for download or QSAR
Found 79 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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127560
PNG
(US8791100, 58)
Show SMILES CC[C@@H](Nc1cc(CNCCC(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C19H23Cl2N3O2/c1-3-17(13-4-5-15(20)12(2)8-13)24-18-9-14(16(21)11-23-18)10-22-7-6-19(25)26/h4-5,8-9,11,17,22H,3,6-7,10H2,1-2H3,(H,23,24)(H,25,26)/t17-/m1/s1
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n/an/a 0.100n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127573
PNG
(US8791100, 71)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(F)c(CN2CC(C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF4N2O2/c1-11-6-12(2-4-16(11)21)18(20(23,24)25)26-15-3-5-17(22)13(7-15)8-27-9-14(10-27)19(28)29/h2-7,14,18,26H,8-10H2,1H3,(H,28,29)/t18-/m0/s1
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n/an/a 0.100n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127572
PNG
(US8791100, 70)
Show SMILES Cc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC(C1)C(O)=O |r|
Show InChI InChI=1S/C21H22ClF3N2O2/c1-12-3-5-17(8-15(12)9-27-10-16(11-27)20(28)29)26-19(21(23,24)25)14-4-6-18(22)13(2)7-14/h3-8,16,19,26H,9-11H2,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.100n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127506
PNG
(US8791100, 4)
Show SMILES CCC(Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(16-6-8-20(23)15(3)9-16)24-19-7-5-14(2)17(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,21,24H,4,11-13H2,1-3H3,(H,26,27)
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n/an/a 0.200n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127567
PNG
(US8791100, 65)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CC(C)(C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12-7-13(3-5-16(12)22)18(21(24,25)26)27-15-4-6-17(23)14(8-15)9-28-10-20(2,11-28)19(29)30/h3-8,18,27H,9-11H2,1-2H3,(H,29,30)/t18-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127531
PNG
(US8791100, 29)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12-8-13(2-4-17(12)22)19(21(24,25)26)27-16-3-5-18(23)15(9-16)11-28-7-6-14(10-28)20(29)30/h2-5,8-9,14,19,27H,6-7,10-11H2,1H3,(H,29,30)/t14-,19+/m1/s1
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n/an/a 0.400n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127511
PNG
(US8791100, 9)
Show SMILES CCC(Nc1cc(C)cc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(17-5-6-20(23)15(3)9-17)24-19-8-14(2)7-16(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,21,24H,4,11-13H2,1-3H3,(H,26,27)
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n/an/a 0.400n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127586
PNG
(US8791100, 84)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20Cl2F3N3O2/c1-11-6-12(2-3-15(11)21)18(20(23,24)25)27-17-7-14(16(22)8-26-17)10-28-5-4-13(9-28)19(29)30/h2-3,6-8,13,18H,4-5,9-10H2,1H3,(H,26,27)(H,29,30)/t13-,18+/m1/s1
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n/an/a 0.400n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127542
PNG
(US8791100, 40)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CNCCC(O)=O)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C21H24ClF3N2O2/c1-12-4-7-18(14(3)16(12)11-26-9-8-19(28)29)27-20(21(23,24)25)15-5-6-17(22)13(2)10-15/h4-7,10,20,26-27H,8-9,11H2,1-3H3,(H,28,29)/t20-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127557
PNG
(US8791100, 55)
Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H25Cl2N3O2/c1-3-19(14-4-5-17(22)13(2)8-14)25-20-9-16(18(23)10-24-20)12-26-7-6-15(11-26)21(27)28/h4-5,8-10,15,19H,3,6-7,11-12H2,1-2H3,(H,24,25)(H,27,28)/t15-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127508
PNG
(US8791100, 6)
Show SMILES CC[C@@H](Nc1cccc(c1)C(C)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(17-8-9-20(23)14(2)10-17)24-19-7-5-6-16(11-19)15(3)25-12-18(13-25)22(26)27/h5-11,15,18,21,24H,4,12-13H2,1-3H3,(H,26,27)/t15?,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127581
PNG
(US8791100, 79)
Show SMILES CC[C@@H](Nc1cc(CN2CC(C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C20H23Cl2N3O2/c1-3-18(13-4-5-16(21)12(2)6-13)24-19-7-14(17(22)8-23-19)9-25-10-15(11-25)20(26)27/h4-8,15,18H,3,9-11H2,1-2H3,(H,23,24)(H,26,27)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127535
PNG
(US8791100, 33)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1C)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-5-21(17-7-8-20(24)15(3)10-17)25-22-9-6-14(2)19(16(22)4)13-26-11-18(12-26)23(27)28/h6-10,18,21,25H,5,11-13H2,1-4H3,(H,27,28)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127588
PNG
(US8791100, 86 | US8791100, 87)
Show SMILES CC[C@@H](Nc1cc(CN2CCC(C)(C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r,w:11.14|
Show InChI InChI=1S/C22H27Cl2N3O2/c1-4-19(15-5-6-17(23)14(2)9-15)26-20-10-16(18(24)11-25-20)12-27-8-7-22(3,13-27)21(28)29/h5-6,9-11,19H,4,7-8,12-13H2,1-3H3,(H,25,26)(H,28,29)/t19-,22?/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127570
PNG
(US8791100, 68)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19Cl2F3N2O2/c1-11-6-12(2-4-16(11)21)18(20(23,24)25)26-15-3-5-17(22)13(7-15)8-27-9-14(10-27)19(28)29/h2-7,14,18,26H,8-10H2,1H3,(H,28,29)/t18-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127524
PNG
(US8791100, 22)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(16-6-8-20(23)15(3)9-16)24-19-7-5-14(2)17(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,21,24H,4,11-13H2,1-3H3,(H,26,27)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127571
PNG
(US8791100, 69)
Show SMILES Cc1cc(ccc1Cl)C(Nc1ccc(c(CN2CC(C2)C(O)=O)c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19ClF6N2O2/c1-11-6-12(2-5-17(11)22)18(21(26,27)28)29-15-3-4-16(20(23,24)25)13(7-15)8-30-9-14(10-30)19(31)32/h2-7,14,18,29H,8-10H2,1H3,(H,31,32)
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127540
PNG
(US8791100, 38)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26Cl2N2O2/c1-3-21(15-4-6-19(23)14(2)10-15)25-18-5-7-20(24)17(11-18)13-26-9-8-16(12-26)22(27)28/h4-7,10-11,16,21,25H,3,8-9,12-13H2,1-2H3,(H,27,28)/t16-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127545
PNG
(US8791100, 43)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H28Cl2N2O2/c1-4-21(17-9-14(2)22(25)15(3)10-17)26-19-5-6-20(24)18(11-19)13-27-8-7-16(12-27)23(28)29/h5-6,9-11,16,21,26H,4,7-8,12-13H2,1-3H3,(H,28,29)/t16-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127541
PNG
(US8791100, 39)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cccc(CN2CC(C2)C(O)=O)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C21H22ClF3N2O2/c1-12-8-14(6-7-17(12)22)19(21(23,24)25)26-18-5-3-4-15(13(18)2)9-27-10-16(11-27)20(28)29/h3-8,16,19,26H,9-11H2,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.800n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127534
PNG
(US8791100, 32)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1C)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C24H31ClN2O2/c1-5-22(18-7-8-21(25)16(3)12-18)26-23-9-6-15(2)20(17(23)4)14-27-11-10-19(13-27)24(28)29/h6-9,12,19,22,26H,5,10-11,13-14H2,1-4H3,(H,28,29)/t19-,22-/m1/s1
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n/an/a 0.800n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127580
PNG
(US8791100, 78)
Show SMILES CC[C@@H](Nc1ccnc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C20H24ClN3O2/c1-3-19(14-4-5-18(21)13(2)8-14)23-16-6-7-22-17(9-16)12-24-10-15(11-24)20(25)26/h4-9,15,19H,3,10-12H2,1-2H3,(H,22,23)(H,25,26)/t19-/m1/s1
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n/an/a 0.800n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127569
PNG
(US8791100, 67)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20ClF3N2O2/c1-12-7-14(5-6-17(12)21)18(20(22,23)24)25-16-4-2-3-13(8-16)9-26-10-15(11-26)19(27)28/h2-8,15,18,25H,9-11H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/a 0.800n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127530
PNG
(US8791100, 28)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C)(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-5-21(17-7-9-20(24)16(3)10-17)25-19-8-6-15(2)18(11-19)12-26-13-23(4,14-26)22(27)28/h6-11,21,25H,5,12-14H2,1-4H3,(H,27,28)/t21-/m1/s1
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n/an/a 0.800n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127536
PNG
(US8791100, 34)
Show SMILES CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC[C@H](C1)C(O)=O |r|
Show InChI InChI=1S/C23H26ClF3N2O2/c1-3-15-4-6-19(11-18(15)13-29-9-8-17(12-29)22(30)31)28-21(23(25,26)27)16-5-7-20(24)14(2)10-16/h4-7,10-11,17,21,28H,3,8-9,12-13H2,1-2H3,(H,30,31)/t17-,21+/m1/s1
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n/an/a 0.800n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127554
PNG
(US8791100, 52)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CNCCC(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19Cl2F3N2O2/c1-11-8-12(2-4-15(11)20)18(19(22,23)24)26-14-3-5-16(21)13(9-14)10-25-7-6-17(27)28/h2-5,8-9,18,25-26H,6-7,10H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/a 0.900n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127505
PNG
(US8791100, 3)
Show SMILES CC[C@@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H25ClN2O2/c1-3-20(16-7-8-19(22)14(2)9-16)23-18-6-4-5-15(10-18)11-24-12-17(13-24)21(25)26/h4-10,17,20,23H,3,11-13H2,1-2H3,(H,25,26)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127587
PNG
(US8791100, 85)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cc(CNCCC(O)=O)c(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C18H18Cl2F3N3O2/c1-10-6-11(2-3-13(10)19)17(18(21,22)23)26-15-7-12(14(20)9-25-15)8-24-5-4-16(27)28/h2-3,6-7,9,17,24H,4-5,8H2,1H3,(H,25,26)(H,27,28)/t17-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127564
PNG
(US8791100, 62)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H24Cl2N2O2/c1-3-20(14-4-6-18(22)13(2)8-14)24-17-5-7-19(23)15(9-17)10-25-11-16(12-25)21(26)27/h4-9,16,20,24H,3,10-12H2,1-2H3,(H,26,27)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127556
PNG
(US8791100, 54)
Show SMILES CC[C@@H](Nc1cc(CN2CC(C2)C(O)=O)c(F)cn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C20H23ClFN3O2/c1-3-18(13-4-5-16(21)12(2)6-13)24-19-7-14(17(22)8-23-19)9-25-10-15(11-25)20(26)27/h4-8,15,18H,3,9-11H2,1-2H3,(H,23,24)(H,26,27)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127532
PNG
(US8791100, 30)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C23H26ClF3N2O2/c1-13-4-7-20(15(3)18(13)12-29-9-8-17(11-29)22(30)31)28-21(23(25,26)27)16-5-6-19(24)14(2)10-16/h4-7,10,17,21,28H,8-9,11-12H2,1-3H3,(H,30,31)/t17-,21+/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127533
PNG
(US8791100, 31)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C22H24ClF3N2O2/c1-12-4-7-19(14(3)17(12)11-28-9-16(10-28)21(29)30)27-20(22(24,25)26)15-5-6-18(23)13(2)8-15/h4-8,16,20,27H,9-11H2,1-3H3,(H,29,30)/t20-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127544
PNG
(US8791100, 42)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C24H31ClN2O2/c1-5-22(19-10-16(3)23(25)17(4)11-19)26-21-7-6-15(2)20(12-21)14-27-9-8-18(13-27)24(28)29/h6-7,10-12,18,22,26H,5,8-9,13-14H2,1-4H3,(H,28,29)/t18-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127525
PNG
(US8791100, 23)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-4-22(17-6-8-21(24)16(3)11-17)25-20-7-5-15(2)19(12-20)14-26-10-9-18(13-26)23(27)28/h5-8,11-12,18,22,25H,4,9-10,13-14H2,1-3H3,(H,27,28)/t18-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127523
PNG
(US8791100, 21)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24ClF3N2O2/c1-13-3-5-18(10-17(13)12-28-8-7-16(11-28)21(29)30)27-20(22(24,25)26)15-4-6-19(23)14(2)9-15/h3-6,9-10,16,20,27H,7-8,11-12H2,1-2H3,(H,29,30)/t16-,20+/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127565
PNG
(US8791100, 63)
Show SMILES CC(C)[C@@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26Cl2N2O2/c1-13(2)21(15-4-6-19(23)14(3)8-15)25-18-5-7-20(24)16(9-18)10-26-11-17(12-26)22(27)28/h4-9,13,17,21,25H,10-12H2,1-3H3,(H,27,28)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127574
PNG
(US8791100, 72)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CCC(C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12-8-13(2-4-17(12)22)19(21(24,25)26)27-16-3-5-18(23)15(9-16)11-28-7-6-14(10-28)20(29)30/h2-5,8-9,14,19,27H,6-7,10-11H2,1H3,(H,29,30)/t14?,19-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127588
PNG
(US8791100, 86 | US8791100, 87)
Show SMILES CC[C@@H](Nc1cc(CN2CCC(C)(C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r,w:11.14|
Show InChI InChI=1S/C22H27Cl2N3O2/c1-4-19(15-5-6-17(23)14(2)9-15)26-20-10-16(18(24)11-25-20)12-27-8-7-22(3,13-27)21(28)29/h5-6,9-11,19H,4,7-8,12-13H2,1-3H3,(H,25,26)(H,28,29)/t19-,22?/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127550
PNG
(US8791100, 48 | US8791100, 53)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CNCCC(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H26Cl2N2O2/c1-4-19(15-9-13(2)21(23)14(3)10-15)25-17-5-6-18(22)16(11-17)12-24-8-7-20(26)27/h5-6,9-11,19,24-25H,4,7-8,12H2,1-3H3,(H,26,27)/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127561
PNG
(US8791100, 59)
Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(Cl)cn1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27Cl2N3O2/c1-4-19(16-7-13(2)21(24)14(3)8-16)26-20-9-17(18(23)10-25-20)12-27-6-5-15(11-27)22(28)29/h7-10,15,19H,4-6,11-12H2,1-3H3,(H,25,26)(H,28,29)/t15-,19-/m1/s1
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n/an/a 1.20n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127509
PNG
(US8791100, 7)
Show SMILES CCC(Nc1cccc(c1)C(C)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(17-8-9-20(23)14(2)10-17)24-19-7-5-6-16(11-19)15(3)25-12-18(13-25)22(26)27/h5-11,15,18,21,24H,4,12-13H2,1-3H3,(H,26,27)
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127575
PNG
(US8791100, 73)
Show SMILES C[C@H](NCCC(O)=O)c1cccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C20H22ClF3N2O2/c1-12-10-15(6-7-17(12)21)19(20(22,23)24)26-16-5-3-4-14(11-16)13(2)25-9-8-18(27)28/h3-7,10-11,13,19,25-26H,8-9H2,1-2H3,(H,27,28)/t13-,19-/m0/s1
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n/an/a 1.20n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127547
PNG
(US8791100, 45)
Show SMILES CC[C@@H](Nc1ccc(C)c(CNCCC(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H29ClN2O2/c1-5-20(17-10-15(3)22(23)16(4)11-17)25-19-7-6-14(2)18(12-19)13-24-9-8-21(26)27/h6-7,10-12,20,24-25H,5,8-9,13H2,1-4H3,(H,26,27)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127568
PNG
(US8791100, 66)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC(C)(C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H28Cl2N2O2/c1-5-20(16-8-14(2)21(25)15(3)9-16)26-18-6-7-19(24)17(10-18)11-27-12-23(4,13-27)22(28)29/h6-10,20,26H,5,11-13H2,1-4H3,(H,28,29)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127543
PNG
(US8791100, 41)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-5-21(17-8-15(3)22(24)16(4)9-17)25-20-7-6-14(2)18(10-20)11-26-12-19(13-26)23(27)28/h6-10,19,21,25H,5,11-13H2,1-4H3,(H,27,28)/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127548
PNG
(US8791100, 46)
Show SMILES C[C@@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26Cl2N2O2/c1-13-8-17(9-14(2)21(13)24)15(3)25-19-4-5-20(23)18(10-19)12-26-7-6-16(11-26)22(27)28/h4-5,8-10,15-16,25H,6-7,11-12H2,1-3H3,(H,27,28)/t15-,16-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127516
PNG
(US8791100, 14)
Show SMILES CCC(Nc1cccc(CN2CC[C@H](C2)C(O)=O)c1C)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-4-21(17-8-9-20(24)15(2)12-17)25-22-7-5-6-18(16(22)3)13-26-11-10-19(14-26)23(27)28/h5-9,12,19,21,25H,4,10-11,13-14H2,1-3H3,(H,27,28)/t19-,21?/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127510
PNG
(US8791100, 8)
Show SMILES CC[C@@H](Nc1cccc(CN2CC(C)(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-4-20(17-8-9-19(23)15(2)10-17)24-18-7-5-6-16(11-18)12-25-13-22(3,14-25)21(26)27/h5-11,20,24H,4,12-14H2,1-3H3,(H,26,27)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127519
PNG
(US8791100, 17)
Show SMILES CC(C)C(Nc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-14(2)21(17-7-8-20(23)15(3)9-17)24-19-6-4-5-16(10-19)11-25-12-18(13-25)22(26)27/h4-10,14,18,21,24H,11-13H2,1-3H3,(H,26,27)
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127549
PNG
(US8791100, 47)
Show SMILES C[C@@H](Nc1ccc(C)c(CNCCC(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H27ClN2O2/c1-13-5-6-19(11-18(13)12-23-8-7-20(25)26)24-16(4)17-9-14(2)21(22)15(3)10-17/h5-6,9-11,16,23-24H,7-8,12H2,1-4H3,(H,25,26)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127563
PNG
(US8791100, 61)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26Cl2N2O2/c1-4-20(15-7-13(2)21(24)14(3)8-15)25-18-5-6-19(23)16(9-18)10-26-11-17(12-26)22(27)28/h5-9,17,20,25H,4,10-12H2,1-3H3,(H,27,28)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127512
PNG
(US8791100, 10)
Show SMILES CCC(Nc1ccc(C)c(c1)C(C)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C23H29ClN2O2/c1-5-22(17-7-9-21(24)15(3)10-17)25-19-8-6-14(2)20(11-19)16(4)26-12-18(13-26)23(27)28/h6-11,16,18,22,25H,5,12-13H2,1-4H3,(H,27,28)
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127566
PNG
(US8791100, 64)
Show SMILES CC(C)[C@@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H28Cl2N2O2/c1-13(2)22(16-7-14(3)21(25)15(4)8-16)26-19-5-6-20(24)17(9-19)10-27-11-18(12-27)23(28)29/h5-9,13,18,22,26H,10-12H2,1-4H3,(H,28,29)/t22-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127537
PNG
(US8791100, 35)
Show SMILES CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC(C1)C(O)=O |r|
Show InChI InChI=1S/C22H24ClF3N2O2/c1-3-14-4-6-18(9-16(14)10-28-11-17(12-28)21(29)30)27-20(22(24,25)26)15-5-7-19(23)13(2)8-15/h4-9,17,20,27H,3,10-12H2,1-2H3,(H,29,30)/t20-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127520
PNG
(US8791100, 18)
Show SMILES CC[C@@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-4-20(17-8-14(2)21(23)15(3)9-17)24-19-7-5-6-16(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,20,24H,4,11-13H2,1-3H3,(H,26,27)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127526
PNG
(US8791100, 24)
Show SMILES CC[C@@H](Nc1cccc(CN2CC(C2)C(O)=O)c1F)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H24ClFN2O2/c1-3-18(14-7-8-17(22)13(2)9-14)24-19-6-4-5-15(20(19)23)10-25-11-16(12-25)21(26)27/h4-9,16,18,24H,3,10-12H2,1-2H3,(H,26,27)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127522
PNG
(US8791100, 20)
Show SMILES CC[C@@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc2c(Cl)cccc2c1 |r|
Show InChI InChI=1S/C24H25ClN2O2/c1-2-23(18-9-10-21-17(12-18)6-4-8-22(21)25)26-20-7-3-5-16(11-20)13-27-14-19(15-27)24(28)29/h3-12,19,23,26H,2,13-15H2,1H3,(H,28,29)/t23-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127562
PNG
(US8791100, 60)
Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(C)cn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H28ClN3O2/c1-4-20(16-5-6-19(23)14(2)9-16)25-21-10-18(15(3)11-24-21)13-26-8-7-17(12-26)22(27)28/h5-6,9-11,17,20H,4,7-8,12-13H2,1-3H3,(H,24,25)(H,27,28)/t17-,20-/m1/s1
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n/an/a 2.10n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127528
PNG
(US8791100, 26)
Show SMILES CC[C@@H](Nc1cc(CN2CC(C2)C(O)=O)ccc1F)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H24ClFN2O2/c1-3-19(15-5-6-17(22)13(2)8-15)24-20-9-14(4-7-18(20)23)10-25-11-16(12-25)21(26)27/h4-9,16,19,24H,3,10-12H2,1-2H3,(H,26,27)/t19-/m1/s1
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n/an/a 2.10n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127517
PNG
(US8791100, 15)
Show SMILES CCC(Nc1cc(C)cc(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-4-22(18-5-6-21(24)16(3)11-18)25-20-10-15(2)9-17(12-20)13-26-8-7-19(14-26)23(27)28/h5-6,9-12,19,22,25H,4,7-8,13-14H2,1-3H3,(H,27,28)/t19-,22?/m1/s1
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n/an/a 2.30n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127550
PNG
(US8791100, 48 | US8791100, 53)
Show SMILES CC[C@@H](Nc1ccc(Cl)c(CNCCC(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C21H26Cl2N2O2/c1-4-19(15-9-13(2)21(23)14(3)10-15)25-17-5-6-18(22)16(11-17)12-24-8-7-20(26)27/h5-6,9-11,19,24-25H,4,7-8,12H2,1-3H3,(H,26,27)/t19-/m1/s1
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n/an/a 2.40n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127559
PNG
(US8791100, 57)
Show SMILES CC[C@@H](Nc1cc(CN2CCC(C)(C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27Cl2N3O2/c1-4-19(15-5-6-17(23)14(2)9-15)26-20-10-16(18(24)11-25-20)12-27-8-7-22(3,13-27)21(28)29/h5-6,9-11,19H,4,7-8,12-13H2,1-3H3,(H,25,26)(H,28,29)/t19-,22?/m1/s1
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n/an/a 2.40n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127551
PNG
(US8791100, 49)
Show SMILES CC[C@@H](Nc1ccc(C)c(CNC[C@@H](C)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H31ClN2O2/c1-6-21(18-9-15(3)22(24)16(4)10-18)26-20-8-7-14(2)19(11-20)13-25-12-17(5)23(27)28/h7-11,17,21,25-26H,6,12-13H2,1-5H3,(H,27,28)/t17-,21-/m1/s1
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n/an/a 2.40n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127539
PNG
(US8791100, 37)
Show SMILES CC[C@@H](Nc1ccc(CC)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-4-16-6-8-20(11-18(16)12-26-13-19(14-26)23(27)28)25-22(5-2)17-7-9-21(24)15(3)10-17/h6-11,19,22,25H,4-5,12-14H2,1-3H3,(H,27,28)/t22-/m1/s1
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n/an/a 2.5n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127577
PNG
(US8791100, 75)
Show SMILES CC[C@@H](Nc1cc(CN2CC(C2)C(O)=O)ccn1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C20H24ClN3O2/c1-3-18(15-4-5-17(21)13(2)8-15)23-19-9-14(6-7-22-19)10-24-11-16(12-24)20(25)26/h4-9,16,18H,3,10-12H2,1-2H3,(H,22,23)(H,25,26)/t18-/m1/s1
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n/an/a 2.80n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127585
PNG
(US8791100, 83)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CCC(C)(C2)C(O)=O)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H26ClF3N2O2/c1-14-4-6-18(11-17(14)12-29-9-8-22(3,13-29)21(30)31)28-20(23(25,26)27)16-5-7-19(24)15(2)10-16/h4-7,10-11,20,28H,8-9,12-13H2,1-3H3,(H,30,31)/t20-,22?/m0/s1
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n/an/a 2.90n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127584
PNG
(US8791100, 82)
Show SMILES CC[C@@H](Nc1ccc(C)c(CN(C)CCC(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H31ClN2O2/c1-6-21(18-11-16(3)23(24)17(4)12-18)25-20-8-7-15(2)19(13-20)14-26(5)10-9-22(27)28/h7-8,11-13,21,25H,6,9-10,14H2,1-5H3,(H,27,28)/t21-/m1/s1
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n/an/a 3n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127527
PNG
(US8791100, 25)
Show SMILES CC[C@@H](Nc1cccc(CN2CC[C@H](C2)C(O)=O)c1F)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26ClFN2O2/c1-3-19(15-7-8-18(23)14(2)11-15)25-20-6-4-5-16(21(20)24)12-26-10-9-17(13-26)22(27)28/h4-8,11,17,19,25H,3,9-10,12-13H2,1-2H3,(H,27,28)/t17-,19-/m1/s1
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n/an/a 3.30n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127504
PNG
(US8791100, 2)
Show SMILES CCC(Nc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C21H25ClN2O2/c1-3-20(16-7-8-19(22)14(2)9-16)23-18-6-4-5-15(10-18)11-24-12-17(13-24)21(25)26/h4-10,17,20,23H,3,11-13H2,1-2H3,(H,25,26)
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n/an/a 3.5n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127538
PNG
(US8791100, 36)
Show SMILES CC[C@@H](Nc1ccc(CC)c(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C24H31ClN2O2/c1-4-17-6-8-21(13-20(17)15-27-11-10-19(14-27)24(28)29)26-23(5-2)18-7-9-22(25)16(3)12-18/h6-9,12-13,19,23,26H,4-5,10-11,14-15H2,1-3H3,(H,28,29)/t19-,23-/m1/s1
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n/an/a 3.70n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127583
PNG
(US8791100, 81)
Show SMILES CC[C@@H](Nc1ccc(C)c(CNC[C@H](C)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H31ClN2O2/c1-6-21(18-9-15(3)22(24)16(4)10-18)26-20-8-7-14(2)19(11-20)13-25-12-17(5)23(27)28/h7-11,17,21,25-26H,6,12-13H2,1-5H3,(H,27,28)/t17-,21+/m0/s1
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n/an/a 3.90n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127513
PNG
(US8791100, 11)
Show SMILES CC[C@@H](Nc1cccc(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-3-21(17-7-8-20(23)15(2)11-17)24-19-6-4-5-16(12-19)13-25-10-9-18(14-25)22(26)27/h4-8,11-12,18,21,24H,3,9-10,13-14H2,1-2H3,(H,26,27)/t18-,21-/m1/s1
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n/an/a 4n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127515
PNG
(US8791100, 13)
Show SMILES CC[C@@H](Nc1cccc(c1)C(CC)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-4-21(16-9-10-20(24)15(3)11-16)25-19-8-6-7-17(12-19)22(5-2)26-13-18(14-26)23(27)28/h6-12,18,21-22,25H,4-5,13-14H2,1-3H3,(H,27,28)/t21-,22?/m1/s1
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n/an/a 4.70n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127578
PNG
(US8791100, 76)
Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)C1CCC1 |r|
Show InChI InChI=1S/C23H27ClN2O2/c1-15-10-18(8-9-21(15)24)22(17-5-3-6-17)25-20-7-2-4-16(11-20)12-26-13-19(14-26)23(27)28/h2,4,7-11,17,19,22,25H,3,5-6,12-14H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 5.70n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127546
PNG
(US8791100, 44)
Show SMILES C[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C23H29ClN2O2/c1-14-5-6-21(11-20(14)13-26-8-7-18(12-26)23(27)28)25-17(4)19-9-15(2)22(24)16(3)10-19/h5-6,9-11,17-18,25H,7-8,12-13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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n/an/a 6.70n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127529
PNG
(US8791100, 27)
Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)ccc1F)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H26ClFN2O2/c1-3-20(16-5-6-18(23)14(2)10-16)25-21-11-15(4-7-19(21)24)12-26-9-8-17(13-26)22(27)28/h4-7,10-11,17,20,25H,3,8-9,12-13H2,1-2H3,(H,27,28)/t17-,20-/m1/s1
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n/an/a 10.6n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127576
PNG
(US8791100, 74)
Show SMILES CC[C@@H](Nc1cccc(CN2CC(C2)C(O)=O)n1)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C20H24ClN3O2/c1-3-18(14-7-8-17(21)13(2)9-14)23-19-6-4-5-16(22-19)12-24-10-15(11-24)20(25)26/h4-9,15,18H,3,10-12H2,1-2H3,(H,22,23)(H,25,26)/t18-/m1/s1
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US Patent
n/an/a 14.1n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127503
PNG
(US8791100, 1)
Show SMILES CC(Nc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C20H23ClN2O2/c1-13-8-16(6-7-19(13)21)14(2)22-18-5-3-4-15(9-18)10-23-11-17(12-23)20(24)25/h3-9,14,17,22H,10-12H2,1-2H3,(H,24,25)
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US Patent
n/an/a 14.7n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127582
PNG
(US8791100, 80)
Show SMILES CC[C@@H](Nc1ccc(C)c(CNCC(C)(C)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r|
Show InChI InChI=1S/C24H33ClN2O2/c1-7-21(18-10-16(3)22(25)17(4)11-18)27-20-9-8-15(2)19(12-20)13-26-14-24(5,6)23(28)29/h8-12,21,26-27H,7,13-14H2,1-6H3,(H,28,29)/t21-/m1/s1
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n/an/a 24.5n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%