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Compile Data Set for Download or QSAR

Found 441 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 3


(Homo sapiens (Human))
BDBM155803
PNG
(US9012651, 247)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H19F3N2O/c1-10(2)17(9-23)21-8-16-14(20)3-4-15(22-16)11-5-12(18)7-13(19)6-11/h3-7,10,17,21,23H,8-9H2,1-2H3/t17-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155784
PNG
(US9012651, 223)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)C1=CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C18H24F4N2O/c1-11(2)17(10-25)23-9-16-14(19)7-8-15(24-16)12-3-5-13(6-4-12)18(20,21)22/h3,7-8,11,13,17,23,25H,4-6,9-10H2,1-2H3/t13?,17-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155667
PNG
(US9012651, 97)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCc2c(F)cccc2C1
Show InChI InChI=1S/C20H25F2N3O/c1-13(2)19(12-26)23-10-18-17(22)6-7-20(24-18)25-9-8-15-14(11-25)4-3-5-16(15)21/h3-7,13,19,23,26H,8-12H2,1-2H3/t19-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155664
PNG
(US9012651, 94)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1Cc2cccc(F)c2C1
Show InChI InChI=1S/C19H23F2N3O/c1-12(2)18(11-25)22-8-17-16(21)6-7-19(23-17)24-9-13-4-3-5-15(20)14(13)10-24/h3-7,12,18,22,25H,8-11H2,1-2H3/t18-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155846
PNG
(US9012651, 294)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C17H19ClF2N2O/c1-10(2)17(9-23)21-8-16-14(20)5-6-15(22-16)11-3-4-13(19)12(18)7-11/h3-7,10,17,21,23H,8-9H2,1-2H3/t17-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155826
PNG
(US9012651, 273)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc2ccccc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H30FN3O3/c1-15(2)20(14-29)26-13-19-17(25)10-11-18(27-19)22-12-16-8-6-7-9-21(16)28(22)23(30)31-24(3,4)5/h6-12,15,20,26,29H,13-14H2,1-5H3/t20-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155842
PNG
(US9012651, 289)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)C#Cc1ccccc1
Show InChI InChI=1S/C19H21FN2O/c1-14(2)19(13-23)21-12-18-17(20)11-10-16(22-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14,19,21,23H,12-13H2,1-2H3/t19-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155789
PNG
(US9012651, 228)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H19F3N2O/c1-10(2)17(9-23)21-8-16-13(19)5-6-15(22-16)11-3-4-12(18)14(20)7-11/h3-7,10,17,21,23H,8-9H2,1-2H3/t17-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155785
PNG
(US9012651, 224)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)C1=CCC(F)(F)CC1
Show InChI InChI=1S/C17H23F3N2O/c1-11(2)16(10-23)21-9-15-13(18)3-4-14(22-15)12-5-7-17(19,20)8-6-12/h3-5,11,16,21,23H,6-10H2,1-2H3/t16-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155669
PNG
(US9012651, 99)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCc2cccc(F)c2C1
Show InChI InChI=1S/C20H25F2N3O/c1-13(2)19(12-26)23-10-18-17(22)6-7-20(24-18)25-9-8-14-4-3-5-16(21)15(14)11-25/h3-7,13,19,23,26H,8-12H2,1-2H3/t19-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155643
PNG
(US9012651, 73)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H19F4N3O/c1-10(2)16(9-25)23-8-15-12(18)4-6-14(24-15)13-5-3-11(7-22-13)17(19,20)21/h3-7,10,16,23,25H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM47251
PNG
(US9012651, 71)
Show SMILES CC(CCO)CNCc1nc(ccc1F)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H24FN3O/c1-14(8-9-24)10-21-11-18-17(20)6-7-19(22-18)23-12-15-4-2-3-5-16(15)13-23/h2-7,14,21,24H,8-13H2,1H3
PDB

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n/an/a 160n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155800
PNG
(US9012651, 244)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C17H18F4N2O/c1-9(2)16(8-24)22-7-15-11(18)3-4-14(23-15)10-5-12(19)17(21)13(20)6-10/h3-6,9,16,22,24H,7-8H2,1-2H3/t16-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155801
PNG
(US9012651, 245)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C17H18F4N2O/c1-9(2)15(8-24)22-7-14-11(18)5-6-13(23-14)10-3-4-12(19)17(21)16(10)20/h3-6,9,15,22,24H,7-8H2,1-2H3/t15-/m0/s1
PDB

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n/an/a 160n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM50187697
PNG
(CHEMBL3828278)
Show SMILES O[C@H](c1ccccn1)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H15Cl2NO/c17-12-6-5-11(10-13(12)18)16(7-3-8-16)15(20)14-4-1-2-9-19-14/h1-2,4-6,9-10,15,20H,3,7-8H2/t15-/s2
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n/an/a 160n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced calcium flux by FLIPR analysis


J Med Chem 59: 4926-47 (2016)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155802
PNG
(US9012651, 246)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H18F4N2O/c1-9(2)17(8-24)22-7-16-11(18)3-4-15(23-16)10-5-13(20)14(21)6-12(10)19/h3-6,9,17,22,24H,7-8H2,1-2H3/t17-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155841
PNG
(US9012651, 288)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)C#CCCC1CCCCC1
Show InChI InChI=1S/C21H31FN2O/c1-16(2)21(15-25)23-14-20-19(22)13-12-18(24-20)11-7-6-10-17-8-4-3-5-9-17/h12-13,16-17,21,23,25H,3-6,8-10,14-15H2,1-2H3/t21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM47273
PNG
(US9012651, 290)
Show SMILES CC(C)[C@@H](CO)NCc1nc(ccc1F)-c1ccc(s1)C(F)(F)F
Show InChI InChI=1/C16H18F4N2OS/c1-9(2)13(8-23)21-7-12-10(17)3-4-11(22-12)14-5-6-15(24-14)16(18,19)20/h3-6,9,13,21,23H,7-8H2,1-2H3/t13-/s2
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n/an/a 170n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155819
PNG
(US9012651, 264)
Show SMILES CC(C)[C@H](CO)NCc1cccc(n1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2O/c1-14(2)19(13-23)21-12-18-5-3-4-17(22-18)11-8-15-6-9-16(20)10-7-15/h3-7,9-10,14,19,21,23H,12-13H2,1-2H3/t19-/m0/s1
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AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155641
PNG
(US9012651, 70)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H26FN3O/c1-14(2)19(13-25)22-11-18-17(21)7-8-20(23-18)24-10-9-15-5-3-4-6-16(15)12-24/h3-8,14,19,22,25H,9-13H2,1-2H3/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155822
PNG
(US9012651, 267)
Show SMILES CC(C)[C@H](CO)NCc1cccc(n1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N2O/c1-11(2)17(10-25)23-9-13-4-3-5-16(24-13)12-6-7-15(19)14(8-12)18(20,21)22/h3-8,11,17,23,25H,9-10H2,1-2H3/t17-/m0/s1
PDB

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AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155820
PNG
(US9012651, 265)
Show SMILES CC(C)[C@H](CO)NCc1cccc(n1)C#Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H20F2N2O/c1-13(2)19(12-24)22-11-16-5-3-4-15(23-16)8-6-14-7-9-17(20)18(21)10-14/h3-5,7,9-10,13,19,22,24H,11-12H2,1-2H3/t19-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155633
PNG
(US9012651, 61)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)S(=O)(=O)N(C)C(C)(C)C
Show InChI InChI=1S/C22H32FN3O3S/c1-15(2)21(14-27)24-13-20-18(23)10-11-19(25-20)16-8-7-9-17(12-16)30(28,29)26(6)22(3,4)5/h7-12,15,21,24,27H,13-14H2,1-6H3/t21-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155591
PNG
(US9012651, 17)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N2O/c1-11(2)17(10-25)23-9-16-14(19)7-8-15(24-16)12-3-5-13(6-4-12)18(20,21)22/h3-8,11,17,23,25H,9-10H2,1-2H3/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190588
PNG
(US9181219, 2-[(3,5-dichloropyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(Cl)cc3Cl)c12
Show InChI InChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190585
PNG
(US9181219, 2-{[3-fluoro-5-(trifluoromethyl)pyridin...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(cc3F)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190583
PNG
(US9181219, 10)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(cc3Cl)C(F)(F)F)c12
Show InChI InChI=1S/C18H16ClF3N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190579
PNG
(US9181219, 20)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
Show InChI InChI=1S/C17H17ClN2OS/c1-12-5-2-6-13-7-4-10-20(16(12)13)15(21)11-22-17-14(18)8-3-9-19-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190585
PNG
(US9181219, 2-{[3-fluoro-5-(trifluoromethyl)pyridin...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(cc3F)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190588
PNG
(US9181219, 2-[(3,5-dichloropyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ncc(Cl)cc3Cl)c12
Show InChI InChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190593
PNG
(US9181219, 2-[(4,5-dimethylpyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cnc(SCC(=O)N2CCCc3cccc(C)c23)cc1C
Show InChI InChI=1S/C19H22N2OS/c1-13-6-4-7-16-8-5-9-21(19(13)16)18(22)12-23-17-10-14(2)15(3)11-20-17/h4,6-7,10-11H,5,8-9,12H2,1-3H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
Phase 1: TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separatio...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190593
PNG
(US9181219, 2-[(4,5-dimethylpyridin-2-yl)sulfanyl]-...)
Show SMILES Cc1cnc(SCC(=O)N2CCCc3cccc(C)c23)cc1C
Show InChI InChI=1S/C19H22N2OS/c1-13-6-4-7-16-8-5-9-21(19(13)16)18(22)12-23-17-10-14(2)15(3)11-20-17/h4,6-7,10-11H,5,8-9,12H2,1-3H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM190576
PNG
(US9181219, 6)
Show SMILES Cc1cccc2CCCN(C(=O)CSc3ccc(cn3)C(F)(F)F)c12
Show InChI InChI=1S/C18H17F3N2OS/c1-12-4-2-5-13-6-3-9-23(17(12)13)16(24)11-25-15-8-7-14(10-22-15)18(19,20)21/h2,4-5,7-8,10H,3,6,9,11H2,1H3
PDB

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n/an/a<200n/an/an/an/an/an/a



HYDRA BIOSCIENCES, INC.

US Patent


Assay Description
To determine whether compounds were selective for TRPV3 inhibition over inhibition of other ion channel types, the human ERG (hERG), NaV1.2, and TRPV...


US Patent US9181219 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM47272
PNG
(US9012651, 272)
Show SMILES OCC1(CCCC1)NCc1cccc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N2O/c21-19(22,23)14-8-13(9-15(10-14)20(24,25)26)17-5-3-4-16(28-17)11-27-18(12-29)6-1-2-7-18/h3-5,8-10,27,29H,1-2,6-7,11-12H2
PDB

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n/an/a 220n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155638
PNG
(US9012651, 66)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C17H25F4N3O/c1-11(2)15(10-25)22-9-14-13(18)3-4-16(23-14)24-7-5-12(6-8-24)17(19,20)21/h3-4,11-12,15,22,25H,5-10H2,1-2H3/t15-/m0/s1
PDB

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n/an/a 220n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155811
PNG
(US9012651, 255)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc2sccc2c1
Show InChI InChI=1S/C19H21FN2OS/c1-12(2)18(11-23)21-10-17-15(20)4-5-16(22-17)13-3-6-19-14(9-13)7-8-24-19/h3-9,12,18,21,23H,10-11H2,1-2H3/t18-/m0/s1
PDB

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n/an/a 230n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155818
PNG
(US9012651, 263)
Show SMILES CC(C)[C@H](CO)NCc1cccc(n1)C#Cc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C19H21F5N2OS/c1-14(2)19(13-27)25-12-17-5-3-4-16(26-17)9-6-15-7-10-18(11-8-15)28(20,21,22,23)24/h3-5,7-8,10-11,14,19,25,27H,12-13H2,1-2H3/t19-/m0/s1
PDB

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n/an/a 230n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155593
PNG
(US9012651, 19)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H20F4N2O2/c1-11(2)17(10-25)23-9-16-14(19)7-8-15(24-16)12-3-5-13(6-4-12)26-18(20,21)22/h3-8,11,17,23,25H,9-10H2,1-2H3/t17-/m0/s1
PDB

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n/an/a 230n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155833
PNG
(US9012651, 280)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C18H22F2N2O/c1-11(2)18(10-23)21-9-17-15(20)6-7-16(22-17)13-4-5-14(19)12(3)8-13/h4-8,11,18,21,23H,9-10H2,1-3H3/t18-/m0/s1
PDB

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n/an/a 250n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155836
PNG
(US9012651, 283)
Show SMILES COc1cc(cc(F)c1F)-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1
Show InChI InChI=1S/C18H21F3N2O2/c1-10(2)16(9-24)22-8-15-12(19)4-5-14(23-15)11-6-13(20)18(21)17(7-11)25-3/h4-7,10,16,22,24H,8-9H2,1-3H3/t16-/m0/s1
PDB

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n/an/a 260n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155673
PNG
(US9012651, 103)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCc2ccc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C21H25F4N3O/c1-13(2)19(12-29)26-10-18-17(22)5-6-20(27-18)28-8-7-14-3-4-16(21(23,24)25)9-15(14)11-28/h3-6,9,13,19,26,29H,7-8,10-12H2,1-2H3/t19-/m0/s1
PDB

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n/an/a 260n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155827
PNG
(US9012651, 274)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H22FN3O/c1-12(2)19(11-24)21-10-18-14(20)7-8-16(23-18)17-9-13-5-3-4-6-15(13)22-17/h3-9,12,19,21-22,24H,10-11H2,1-2H3/t19-/m0/s1
PDB

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n/an/a 260n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155663
PNG
(US9012651, 93)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)N1Cc2ccc(F)cc2C1
Show InChI InChI=1S/C19H23F2N3O/c1-12(2)18(11-25)22-8-17-16(21)5-6-19(23-17)24-9-13-3-4-15(20)7-14(13)10-24/h3-7,12,18,22,25H,8-11H2,1-2H3/t18-/m0/s1
PDB

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n/an/a 270n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155844
PNG
(US9012651, 292)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C17H19F4N3O/c1-10(2)16(9-25)23-8-15-13(18)3-4-14(24-15)11-5-12(7-22-6-11)17(19,20)21/h3-7,10,16,23,25H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155619
PNG
(US9012651, 47)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C18H19ClF4N2O/c1-10(2)17(9-26)24-8-16-14(20)5-6-15(25-16)11-3-4-12(13(19)7-11)18(21,22)23/h3-7,10,17,24,26H,8-9H2,1-2H3/t17-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155796
PNG
(US9012651, 238)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N2O/c1-13(2)19(12-24)22-11-18-17(21)10-9-16(23-18)8-5-14-3-6-15(20)7-4-14/h3-4,6-7,9-10,13,19,22,24H,11-12H2,1-2H3/t19-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155650
PNG
(US9012651, 80)
Show SMILES OCC1(CCCC1)NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H20F4N2O/c20-15-7-8-16(13-3-5-14(6-4-13)19(21,22)23)25-17(15)11-24-18(12-26)9-1-2-10-18/h3-8,24,26H,1-2,9-12H2
PDB

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n/an/a 290n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155814
PNG
(US9012651, 258)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)[C@H]1CC[C@@H](CC1)C(F)(F)F
Show InChI InChI=1S/C18H26F4N2O/c1-11(2)17(10-25)23-9-16-14(19)7-8-15(24-16)12-3-5-13(6-4-12)18(20,21)22/h7-8,11-13,17,23,25H,3-6,9-10H2,1-2H3/t12-,13-,17-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155656
PNG
(US9012651, 86)
Show SMILES CC(O)C(C)NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H18F4N2O/c1-10(11(2)24)22-9-16-14(18)7-8-15(23-16)12-3-5-13(6-4-12)17(19,20)21/h3-8,10-11,22,24H,9H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM155816
PNG
(US9012651, 260)
Show SMILES CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)-n1cccn1
Show InChI InChI=1S/C20H23FN4O/c1-14(2)20(13-26)22-12-19-17(21)7-8-18(24-19)15-5-3-6-16(11-15)25-10-4-9-23-25/h3-11,14,20,22,26H,12-13H2,1-2H3/t20-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Experiments were conducted using the FLIPRTETRAŽ. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TR...


US Patent US9012651 (2015)

More data for this
Ligand-Target Pair
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