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Patent code US8791268

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))
BDBM127310
PNG
(US8791268, 21)
Show SMILES COc1cc(CC(=O)NCc2ccc(nc2N2CCC(C)CC2)C(F)(F)F)cc(Br)c1O
Show InChI InChI=1S/C22H25BrF3N3O3/c1-13-5-7-29(8-6-13)21-15(3-4-18(28-21)22(24,25)26)12-27-19(30)11-14-9-16(23)20(31)17(10-14)32-2/h3-4,9-10,13,31H,5-8,11-12H2,1-2H3,(H,27,30)
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US Patent
0.100n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127312
PNG
(US8791268, 23)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)c(O)c(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H22Br2F3N3O2/c1-12-4-6-29(7-5-12)20-14(2-3-17(28-20)21(24,25)26)11-27-18(30)10-13-8-15(22)19(31)16(23)9-13/h2-3,8-9,12,31H,4-7,10-11H2,1H3,(H,27,30)
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US Patent
0.300n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127311
PNG
(US8791268, 22)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)c(N)c(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Br2F3N4O/c1-12-4-6-30(7-5-12)20-14(2-3-17(29-20)21(24,25)26)11-28-18(31)10-13-8-15(22)19(27)16(23)9-13/h2-3,8-9,12H,4-7,10-11,27H2,1H3,(H,28,31)
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0.700n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127309
PNG
(US8791268, 20)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(Br)c(N)c(Br)c1
Show InChI InChI=1S/C22H25Br2F3N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127308
PNG
(US8791268, 19)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C22H24Br2F3N3O2/c1-12-5-7-30(8-6-12)20-14(3-4-18(29-20)22(25,26)27)11-28-21(32)13(2)15-9-16(23)19(31)17(24)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,28,32)
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1.10n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127315
PNG
(US8791268, 26)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(F)c(N)c(F)c1
Show InChI InChI=1S/C22H25F5N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
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3.40n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127303
PNG
(US8791268, 3)
Show SMILES COc1cc(CC(=O)NCc2ccc(nc2N2CCC(C)CC2)C(F)(F)F)cc(Br)c1N
Show InChI InChI=1S/C22H26BrF3N4O2/c1-13-5-7-30(8-6-13)21-15(3-4-18(29-21)22(24,25)26)12-28-19(31)11-14-9-16(23)20(27)17(10-14)32-2/h3-4,9-10,13H,5-8,11-12,27H2,1-2H3,(H,28,31)
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4.40n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127317
PNG
(US8791268, 34)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(F)c(NC(=O)C=C)c(I)c1
Show InChI InChI=1S/C25H27F4IN4O2/c1-4-21(35)33-22-18(26)11-17(12-19(22)30)15(3)24(36)31-13-16-5-6-20(25(27,28)29)32-23(16)34-9-7-14(2)8-10-34/h4-6,11-12,14-15H,1,7-10,13H2,2-3H3,(H,31,36)(H,33,35)
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4.80n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127316
PNG
(US8791268, 27)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(O)c(c(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H24F4N4O4/c1-12-5-7-29(8-6-12)20-14(3-4-18(28-20)22(24,25)26)11-27-21(32)13(2)15-9-16(23)19(30(33)34)17(31)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,27,32)
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7.70n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127316
PNG
(US8791268, 27)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(O)c(c(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C22H24F4N4O4/c1-12-5-7-29(8-6-12)20-14(3-4-18(28-20)22(24,25)26)11-27-21(32)13(2)15-9-16(23)19(30(33)34)17(31)10-15/h3-4,9-10,12-13,31H,5-8,11H2,1-2H3,(H,27,32)
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7.90n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127315
PNG
(US8791268, 26)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(F)c(N)c(F)c1
Show InChI InChI=1S/C22H25F5N4O/c1-12-5-7-31(8-6-12)20-14(3-4-18(30-20)22(25,26)27)11-29-21(32)13(2)15-9-16(23)19(28)17(24)10-15/h3-4,9-10,12-13H,5-8,11,28H2,1-2H3,(H,29,32)
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9.60n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127303
PNG
(US8791268, 3)
Show SMILES COc1cc(CC(=O)NCc2ccc(nc2N2CCC(C)CC2)C(F)(F)F)cc(Br)c1N
Show InChI InChI=1S/C22H26BrF3N4O2/c1-13-5-7-30(8-6-13)21-15(3-4-18(29-21)22(24,25)26)12-28-19(31)11-14-9-16(23)20(27)17(10-14)32-2/h3-4,9-10,13H,5-8,11-12,27H2,1-2H3,(H,28,31)
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16.7n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127307
PNG
(US8791268, 10)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H24F5N3O/c1-13-5-7-30(8-6-13)20-15(3-4-19(29-20)22(25,26)27)12-28-21(31)14(2)16-9-17(23)11-18(24)10-16/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,31)
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24.7n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127314
PNG
(US8791268, 18)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NC(C)=O)c(F)c1
Show InChI InChI=1S/C24H28F4N4O2/c1-14-8-10-32(11-9-14)22-18(5-7-21(31-22)24(26,27)28)13-29-23(34)15(2)17-4-6-20(19(25)12-17)30-16(3)33/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,29,34)(H,30,33)
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25n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127306
PNG
(US8791268, 7)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(F)ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F5N3O/c1-13-6-8-29(9-7-13)20-14(2-5-18(28-20)21(24,25)26)12-27-19(30)11-15-10-16(22)3-4-17(15)23/h2-5,10,13H,6-9,11-12H2,1H3,(H,27,30)
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30n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127304
PNG
(US8791268, 4)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N3O/c1-14-7-9-28(10-8-14)20-16(5-6-18(27-20)21(23,24)25)13-26-19(29)12-15-3-2-4-17(22)11-15/h2-6,11,14H,7-10,12-13H2,1H3,(H,26,29)
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34n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127305
PNG
(US8791268, 6)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1c(F)cccc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F5N3O/c1-13-7-9-29(10-8-13)20-14(5-6-18(28-20)21(24,25)26)12-27-19(30)11-15-16(22)3-2-4-17(15)23/h2-6,13H,7-12H2,1H3,(H,27,30)
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38n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM127313
PNG
(US8791268, 2)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H22Br2F3N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30)
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40.6n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127313
PNG
(US8791268, 2)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H22Br2F3N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30)
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60.1n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127306
PNG
(US8791268, 7)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(F)ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F5N3O/c1-13-6-8-29(9-7-13)20-14(2-5-18(28-20)21(24,25)26)12-27-19(30)11-15-10-16(22)3-4-17(15)23/h2-5,10,13H,6-9,11-12H2,1H3,(H,27,30)
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US Patent
63n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127304
PNG
(US8791268, 4)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N3O/c1-14-7-9-28(10-8-14)20-16(5-6-18(27-20)21(23,24)25)13-26-19(29)12-15-3-2-4-17(22)11-15/h2-6,11,14H,7-10,12-13H2,1H3,(H,26,29)
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80n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127305
PNG
(US8791268, 6)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1c(F)cccc1F)C(F)(F)F
Show InChI InChI=1S/C21H22F5N3O/c1-13-7-9-29(10-8-13)20-14(5-6-18(28-20)21(24,25)26)12-27-19(30)11-15-16(22)3-2-4-17(15)23/h2-6,13H,7-12H2,1H3,(H,27,30)
PDB
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118n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%