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Patent code US8765733

Compile Data Set for Download or QSAR
Found 21 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))
BDBM125070
PNG
(US8765733, 59)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O3S/c1-14-8-10-30(11-9-14)19-16(4-7-18(29-19)21(22,23)24)13-26-20(31)28-17-5-2-15(3-6-17)12-27-34(25,32)33/h2-7,14,27H,8-13H2,1H3,(H2,25,32,33)(H2,26,28,31)
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1n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125072
PNG
(US8765733, 61)
Show SMILES CC1CCN(CC1)c1nc(C)ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H29FN6O3S/c1-14-7-9-28(10-8-14)20-17(4-3-15(2)26-20)12-24-21(29)27-18-6-5-16(19(22)11-18)13-25-32(23,30)31/h3-6,11,14,25H,7-10,12-13H2,1-2H3,(H2,23,30,31)(H2,24,27,29)
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1n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125073
PNG
(US8765733, 64)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(CNS(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H29F4N5O3S/c1-14-7-9-32(10-8-14)21-18(5-6-20(31-21)23(25,26)27)12-29-22(33)15(2)16-3-4-17(19(24)11-16)13-30-36(28,34)35/h3-6,11,14-15,30H,7-10,12-13H2,1-2H3,(H,29,33)(H2,28,34,35)
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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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125057
PNG
(US8765733, 5)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C22H28F3N5O3S/c1-15-9-11-30(12-10-15)20-17(5-8-19(29-20)22(23,24)25)14-26-21(31)28-18-6-3-16(4-7-18)13-27-34(2,32)33/h3-8,15,27H,9-14H2,1-2H3,(H2,26,28,31)
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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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125068
PNG
(US8765733, 55)
Show SMILES CCS(=O)(=O)NCc1ccc(cc1F)C(C)C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F
Show InChI InChI=1S/C25H32F4N4O3S/c1-4-37(35,36)31-15-19-6-5-18(13-21(19)26)17(3)24(34)30-14-20-7-8-22(25(27,28)29)32-23(20)33-11-9-16(2)10-12-33/h5-8,13,16-17,31H,4,9-12,14-15H2,1-3H3,(H,30,34)
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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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125061
PNG
(US8765733, 46)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C24H30ClF3N4O3S/c1-15-8-10-32(11-9-15)22-19(6-7-21(31-22)24(26,27)28)13-29-23(33)16(2)17-4-5-18(20(25)12-17)14-30-36(3,34)35/h4-7,12,15-16,30H,8-11,13-14H2,1-3H3,(H,29,33)
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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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125066
PNG
(US8765733, 53)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(C)c1)C(F)(F)F
Show InChI InChI=1S/C23H30F3N5O3S/c1-15-8-10-31(11-9-15)21-18(5-7-20(30-21)23(24,25)26)13-27-22(32)29-19-6-4-17(16(2)12-19)14-28-35(3,33)34/h4-7,12,15,28H,8-11,13-14H2,1-3H3,(H2,27,29,32)
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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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125059
PNG
(US8765733, 24)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125058
PNG
(US8765733, 6)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H31F3N4O3S/c1-16-10-12-31(13-11-16)22-20(8-9-21(30-22)24(25,26)27)15-28-23(32)17(2)19-6-4-18(5-7-19)14-29-35(3,33)34/h4-9,16-17,29H,10-15H2,1-3H3,(H,28,32)
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11n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125063
PNG
(US8765733, 49)
Show SMILES COc1cc(NC(=O)NCc2ccc(nc2N2CCC(C)CC2)C(F)(F)F)ccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H30F3N5O4S/c1-15-8-10-31(11-9-15)21-17(5-7-20(30-21)23(24,25)26)13-27-22(32)29-18-6-4-16(19(12-18)35-2)14-28-36(3,33)34/h4-7,12,15,28H,8-11,13-14H2,1-3H3,(H2,27,29,32)
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12n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125071
PNG
(US8765733, 60)
Show SMILES NS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(nc2N2CCCC2)C(F)(F)F)cc1F
Show InChI InChI=1S/C19H22F4N6O3S/c20-15-9-14(5-3-12(15)11-26-33(24,31)32)27-18(30)25-10-13-4-6-16(19(21,22)23)28-17(13)29-7-1-2-8-29/h3-6,9,26H,1-2,7-8,10-11H2,(H2,24,31,32)(H2,25,27,30)
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20n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125055
PNG
(US8765733, 3)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H27F3N4O3S/c1-15(17-7-5-16(6-8-17)13-27-33(2,31)32)21(30)26-14-18-9-10-19(22(23,24)25)28-20(18)29-11-3-4-12-29/h5-10,15,27H,3-4,11-14H2,1-2H3,(H,26,30)
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20n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125056
PNG
(US8765733, 4)
Show SMILES CS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(nc2N2CCCC2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H24F3N5O3S/c1-32(30,31)25-12-14-4-7-16(8-5-14)26-19(29)24-13-15-6-9-17(20(21,22)23)27-18(15)28-10-2-3-11-28/h4-9,25H,2-3,10-13H2,1H3,(H2,24,26,29)
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26n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125065
PNG
(US8765733, 52)
Show SMILES Cc1cc(NC(=O)NCc2ccc(nc2N2CCCC2)C(F)(F)F)ccc1CNS(C)(=O)=O
Show InChI InChI=1S/C21H26F3N5O3S/c1-14-11-17(7-5-15(14)13-26-33(2,31)32)27-20(30)25-12-16-6-8-18(21(22,23)24)28-19(16)29-9-3-4-10-29/h5-8,11,26H,3-4,9-10,12-13H2,1-2H3,(H2,25,27,30)
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46n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125064
PNG
(US8765733, 51)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H29F3N4O3S/c1-15-12-17(6-7-18(15)14-28-34(3,32)33)16(2)22(31)27-13-19-8-9-20(23(24,25)26)29-21(19)30-10-4-5-11-30/h6-9,12,16,28H,4-5,10-11,13-14H2,1-3H3,(H,27,31)
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50n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125074
PNG
(US8765733, 63)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(CN(C)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H32F4N4O3S/c1-16-9-11-33(12-10-16)23-19(7-8-22(31-23)25(27,28)29)14-30-24(34)17(2)18-5-6-20(21(26)13-18)15-32(3)37(4,35)36/h5-8,13,16-17H,9-12,14-15H2,1-4H3,(H,30,34)
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55n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125067
PNG
(US8765733, 54)
Show SMILES CCS(=O)(=O)NCc1ccc(cc1F)C(C)C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C23H28F4N4O3S/c1-3-35(33,34)29-14-17-7-6-16(12-19(17)24)15(2)22(32)28-13-18-8-9-20(23(25,26)27)30-21(18)31-10-4-5-11-31/h6-9,12,15,29H,3-5,10-11,13-14H2,1-2H3,(H,28,32)
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76n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125060
PNG
(US8765733, 45)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C22H26ClF3N4O3S/c1-14(15-5-6-16(18(23)11-15)13-28-34(2,32)33)21(31)27-12-17-7-8-19(22(24,25)26)29-20(17)30-9-3-4-10-30/h5-8,11,14,28H,3-4,9-10,12-13H2,1-2H3,(H,27,31)
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80n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125069
PNG
(US8765733, 57)
Show SMILES NS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(nc2N2CCCC2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H23F3N6O3S/c20-19(21,22)16-8-5-14(17(27-16)28-9-1-2-10-28)12-24-18(29)26-15-6-3-13(4-7-15)11-25-32(23,30)31/h3-8,25H,1-2,9-12H2,(H2,23,30,31)(H2,24,26,29)
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US Patent
85n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125062
PNG
(US8765733, 48)
Show SMILES COc1cc(ccc1CNS(C)(=O)=O)C(C)C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N4O4S/c1-15(16-6-7-17(19(12-16)34-2)14-28-35(3,32)33)22(31)27-13-18-8-9-20(23(24,25)26)29-21(18)30-10-4-5-11-30/h6-9,12,15,28H,4-5,10-11,13-14H2,1-3H3,(H,27,31)
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87n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM125054
PNG
(US8765733, 1)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C24H31F3N4O3S/c1-16-9-11-31(12-10-16)22-20(7-8-21(30-22)24(25,26)27)15-28-23(32)17(2)19-6-4-5-18(13-19)14-29-35(3,33)34/h4-8,13,16-17,29H,9-12,14-15H2,1-3H3,(H,28,32)
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US Patent
102n/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 μM) are pipetted onto the cells and the Ca2+ influx i...


US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%