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Patent code US9108905

Compile Data Set for Download or QSAR
Found 19 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 A member 1


(Homo sapiens (Human))		BDBM161012
PNG
(US9108905, 1 | US9186360, 89)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
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US Patent
n/an/a 74n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161015
PNG
(US9108905, 4)
Show SMILES CCC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C13H16FNO/c1-3-4-13(15-16)10(2)9-11-5-7-12(14)8-6-11/h5-9,16H,3-4H2,1-2H3/b10-9+,15-13+
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n/an/a 500n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161025
PNG
(US9108905, 14)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)c(F)c1
Show InChI InChI=1S/C12H13F2NO/c1-3-12(15-16)8(2)6-9-4-5-10(13)11(14)7-9/h4-7,16H,3H2,1-2H3/b8-6+,15-12+
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n/an/a 574n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161021
PNG
(US9108905, 10)
Show SMILES CC\C(=N\O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12-
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n/an/a 701n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161018
PNG
(US9108905, 7)
Show SMILES CC(C)\C(=N\O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C13H16FNO/c1-9(2)13(15-16)10(3)8-11-4-6-12(14)7-5-11/h4-9,16H,1-3H3/b10-8+,15-13-
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n/an/a 850n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161019
PNG
(US9108905, 8)
Show SMILES CC(C)\C(=N/O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C13H16FNO/c1-9(2)13(15-16)10(3)8-11-4-6-12(14)7-5-11/h4-9,16H,1-3H3/b10-8+,15-13+
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n/an/a 3.30E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161017
PNG
(US9108905, 6)
Show SMILES CCCC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C14H18FNO/c1-3-4-5-14(16-17)11(2)10-12-6-8-13(15)9-7-12/h6-10,17H,3-5H2,1-2H3/b11-10+,16-14+
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n/an/a 4.40E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161014
PNG
(US9108905, 3)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccccc1F
Show InChI InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-6-4-5-7-11(10)13/h4-8,15H,3H2,1-2H3/b9-8+,14-12+
PDB

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n/an/a 4.60E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161026
PNG
(US9108905, 15)
Show SMILES CC\C(=N/O)\C(\C)=C\c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C12H12F3NO/c1-3-11(16-17)7(2)4-8-5-9(13)12(15)10(14)6-8/h4-6,17H,3H2,1-2H3/b7-4+,16-11+
PDB

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n/an/a 4.67E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161023
PNG
(US9108905, 12)
Show SMILES CCC\C(\C=C\c1ccc(F)cc1)=N/O
Show InChI InChI=1S/C12H14FNO/c1-2-3-12(14-15)9-6-10-4-7-11(13)8-5-10/h4-9,15H,2-3H2,1H3/b9-6+,14-12+
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n/an/a 5.91E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161020
PNG
(US9108905, 9)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C12H13ClFNO/c1-3-12(15-16)8(2)6-9-4-5-11(14)10(13)7-9/h4-7,16H,3H2,1-2H3/b8-6+,15-12+
PDB

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n/an/a 6.00E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161016
PNG
(US9108905, 5)
Show SMILES C\C(=C/c1ccc(F)cc1)\C(=N\O)\C(C)(C)C
Show InChI InChI=1S/C14H18FNO/c1-10(13(16-17)14(2,3)4)9-11-5-7-12(15)8-6-11/h5-9,17H,1-4H3/b10-9+,16-13-
PDB

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n/an/a 8.00E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161013
PNG
(US9108905, 2)
Show SMILES CC\C(=N/OC)\C(\C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C13H16FNO/c1-4-13(15-16-3)10(2)9-11-5-7-12(14)8-6-11/h5-9H,4H2,1-3H3/b10-9+,15-13+
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n/an/a 8.30E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161024
PNG
(US9108905, 13)
Show SMILES CC\C(\C=C\c1ccc(F)cc1)=N/O
Show InChI InChI=1S/C11H12FNO/c1-2-11(13-14)8-5-9-3-6-10(12)7-4-9/h3-8,14H,2H2,1H3/b8-5+,13-11+
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n/an/a 9.46E+3n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161022
PNG
(US9108905, 11)
Show SMILES C\C(\C=C\c1ccc(F)cc1)=N/O
Show InChI InChI=1S/C10H10FNO/c1-8(12-13)2-3-9-4-6-10(11)7-5-9/h2-7,13H,1H3/b3-2+,12-8+
PDB

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n/an/a 2.06E+4n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161028
PNG
(US9108905, 17)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)c(C)c1
Show InChI InChI=1S/C13H16FNO/c1-4-13(15-16)10(3)8-11-5-6-12(14)9(2)7-11/h5-8,16H,4H2,1-3H3/b10-8+,15-13+
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n/an/a>1.00E+5n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161029
PNG
(US9108905, 18)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C13H13F4NO/c1-3-12(18-19)8(2)6-9-4-5-11(14)10(7-9)13(15,16)17/h4-7,19H,3H2,1-2H3/b8-6+,18-12+
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n/an/a>1.00E+5n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161027
PNG
(US9108905, 16)
Show SMILES CCCC\C(\C=C\c1ccc(F)cc1)=N/O
Show InChI InChI=1S/C13H16FNO/c1-2-3-4-13(15-16)10-7-11-5-8-12(14)9-6-11/h5-10,16H,2-4H2,1H3/b10-7+,15-13+
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n/an/a>1.00E+5n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM161030
PNG
(US9108905, 19)
Show SMILES CC\C(=N/O)\C(\C)=C\c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C13H13FN2O/c1-3-13(16-17)9(2)6-10-4-5-12(14)11(7-10)8-15/h4-7,17H,3H2,1-2H3/b9-6+,16-13+
PDB

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n/an/a>1.00E+5n/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks...

US Patent US9108905 (2015)


BindingDB Entry DOI: 10.7270/Q2ZS2V7G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%