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Patent code US8937092

Compile Data Set for Download or QSAR
Found 22 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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142726
PNG
(US8937092, 77)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNC(=O)OC(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C29H31ClF3N3O3/c1-17-7-6-8-20(13-17)25-22(11-12-24(36-25)29(31,32)33)16-34-26(37)18(2)19-9-10-21(23(30)14-19)15-35-27(38)39-28(3,4)5/h6-14,18H,15-16H2,1-5H3,(H,34,37)(H,35,38)
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 3n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142732
PNG
(US8937092, 85)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H24F4N4O3S/c1-14-4-3-5-17(10-14)22-19(8-9-21(32-22)24(26,27)28)12-30-23(33)15(2)16-6-7-18(20(25)11-16)13-31-36(29,34)35/h3-11,15,31H,12-13H2,1-2H3,(H,30,33)(H2,29,34,35)
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 3n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142719
PNG
(US8937092, 17)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1-c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C24H21ClF5N3O3S/c1-13(14-3-4-16(20(27)10-14)12-32-37(2,35)36)23(34)31-11-17-6-8-21(24(28,29)30)33-22(17)15-5-7-19(26)18(25)9-15/h3-10,13,32H,11-12H2,1-2H3,(H,31,34)/t13-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142735
PNG
(US8937092, 97)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(C)c1
Show InChI InChI=1S/C26H28F3N3O3S/c1-16-6-5-7-20(12-16)24-22(10-11-23(32-24)26(27,28)29)14-30-25(33)18(3)19-8-9-21(17(2)13-19)15-31-36(4,34)35/h5-13,18,31H,14-15H2,1-4H3,(H,30,33)
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 4n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142718
PNG
(US8937092, 16)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H21ClF5N3O3S/c1-13(14-3-4-16(20(27)10-14)12-32-37(2,35)36)23(34)31-11-17-6-8-21(24(28,29)30)33-22(17)15-5-7-19(26)18(25)9-15/h3-10,13,32H,11-12H2,1-2H3,(H,31,34)
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 5n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142737
PNG
(US8937092, 24)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H25F4N3O3S/c1-15-5-4-6-18(11-15)23-20(9-10-22(32-23)25(27,28)29)13-30-24(33)16(2)17-7-8-19(21(26)12-17)14-31-36(3,34)35/h4-12,16,31H,13-14H2,1-3H3,(H,30,33)
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 6n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142733
PNG
(US8937092, 86)
Show SMILES Cc1cccc(c1)-c1nc(ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H21F4N5O3S/c1-13-3-2-4-14(9-13)20-16(6-8-19(31-20)22(24,25)26)11-28-21(32)30-17-7-5-15(18(23)10-17)12-29-35(27,33)34/h2-10,29H,11-12H2,1H3,(H2,27,33,34)(H2,28,30,32)
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 6n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142734
PNG
(US8937092, 88)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(N)(=O)=O)cc1
Show InChI InChI=1S/C24H25F3N4O3S/c1-15-4-3-5-19(12-15)22-20(10-11-21(31-22)24(25,26)27)14-29-23(32)16(2)18-8-6-17(7-9-18)13-30-35(28,33)34/h3-12,16,30H,13-14H2,1-2H3,(H,29,32)(H2,28,33,34)
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 7n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142728
PNG
(US8937092, 81)
Show SMILES COc1cc(ccc1CNC(=O)OC(C)(C)C)C(C)C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N3O4/c1-18-8-7-9-21(14-18)26-23(12-13-25(36-26)30(31,32)33)17-34-27(37)19(2)20-10-11-22(24(15-20)39-6)16-35-28(38)40-29(3,4)5/h7-15,19H,16-17H2,1-6H3,(H,34,37)(H,35,38)
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 7n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142731
PNG
(US8937092, 84)
Show SMILES Cc1cccc(c1)-c1nc(ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O3S/c1-14-3-2-4-16(11-14)20-17(7-10-19(30-20)22(23,24)25)13-27-21(31)29-18-8-5-15(6-9-18)12-28-34(26,32)33/h2-11,28H,12-13H2,1H3,(H2,26,32,33)(H2,27,29,31)
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 9n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142715
PNG
(US8937092, 2)
Show SMILES Cc1cccc(c1)-c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-15-4-3-5-17(12-15)21-18(8-11-20(30-21)23(24,25)26)14-27-22(31)29-19-9-6-16(7-10-19)13-28-34(2,32)33/h3-12,28H,13-14H2,1-2H3,(H2,27,29,31)
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 10n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142725
PNG
(US8937092, 27)
Show SMILES Cc1cccc(c1)-c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O3S/c1-14-4-3-5-15(10-14)21-17(7-9-20(31-21)23(25,26)27)12-28-22(32)30-18-8-6-16(19(24)11-18)13-29-35(2,33)34/h3-11,29H,12-13H2,1-2H3,(H2,28,30,32)
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 10n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142738
PNG
(US8937092, 25)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C25H25F4N3O3S/c1-15-5-4-6-18(11-15)23-20(9-10-22(32-23)25(27,28)29)13-30-24(33)16(2)17-7-8-19(21(26)12-17)14-31-36(3,34)35/h4-12,16,31H,13-14H2,1-3H3,(H,30,33)/t16-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142729
PNG
(US8937092, 82)
Show SMILES COc1cc(ccc1CNS(C)(=O)=O)C(C)C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O4S/c1-16-6-5-7-19(12-16)24-21(10-11-23(32-24)26(27,28)29)14-30-25(33)17(2)18-8-9-20(22(13-18)36-3)15-31-37(4,34)35/h5-13,17,31H,14-15H2,1-4H3,(H,30,33)
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 23n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142722
PNG
(US8937092, 22)
Show SMILES CC(C(=O)NCc1ccc(cc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H26F4N2O3S/c1-16-5-4-6-19(11-16)23-13-22(26(28,29)30)10-9-20(23)14-31-25(33)17(2)18-7-8-21(24(27)12-18)15-32-36(3,34)35/h4-13,17,32H,14-15H2,1-3H3,(H,31,33)
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 23n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142723
PNG
(US8937092, 23)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(C)(C)C)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C28H34FN3O3S/c1-18-8-7-9-21(14-18)26-23(12-13-25(32-26)28(3,4)5)16-30-27(33)19(2)20-10-11-22(24(29)15-20)17-31-36(6,34)35/h7-15,19,31H,16-17H2,1-6H3,(H,30,33)
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 24n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142717
PNG
(US8937092, 5)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1ccccc1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H23F4N3O3S/c1-15(17-8-9-18(20(25)12-17)14-30-35(2,33)34)23(32)29-13-19-10-11-21(24(26,27)28)31-22(19)16-6-4-3-5-7-16/h3-12,15,30H,13-14H2,1-2H3,(H,29,32)
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 31n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142721
PNG
(US8937092, 21)
Show SMILES CC(C(=O)NCc1ccc(cc1-c1cccc(C)c1)C(C)(C)C)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H35FN2O3S/c1-19-8-7-9-22(14-19)26-16-25(29(3,4)5)13-12-23(26)17-31-28(33)20(2)21-10-11-24(27(30)15-21)18-32-36(6,34)35/h7-16,20,32H,17-18H2,1-6H3,(H,31,33)
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 37n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142720
PNG
(US8937092, 20)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C1CC1)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H30FN3O3S/c1-17-5-4-6-21(13-17)26-23(11-12-25(31-26)19-7-8-19)15-29-27(32)18(2)20-9-10-22(24(28)14-20)16-30-35(3,33)34/h4-6,9-14,18-19,30H,7-8,15-16H2,1-3H3,(H,29,32)
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 45n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142716
PNG
(US8937092, 4)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H26F3N3O3S/c1-16-5-4-6-20(13-16)23-21(11-12-22(31-23)25(26,27)28)15-29-24(32)17(2)19-9-7-18(8-10-19)14-30-35(3,33)34/h4-13,17,30H,14-15H2,1-3H3,(H,29,32)
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 66n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142727
PNG
(US8937092, 78)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1cccc(C)c1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C25H25ClF3N3O3S/c1-15-5-4-6-18(11-15)23-20(9-10-22(32-23)25(27,28)29)13-30-24(33)16(2)17-7-8-19(21(26)12-17)14-31-36(3,34)35/h4-12,16,31H,13-14H2,1-3H3,(H,30,33)
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 73n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM142730
PNG
(US8937092, 83)
Show SMILES Cc1cccc(c1)-c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(C)c1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-15-5-4-6-17(11-15)22-19(8-10-21(31-22)24(25,26)27)13-28-23(32)30-20-9-7-18(16(2)12-20)14-29-35(3,33)34/h4-12,29H,13-14H2,1-3H3,(H2,28,30,32)
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 74n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is com...

US Patent US8937092 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MG3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%