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Patent code US9394293

Compile Data Set for Download or QSAR
Found 17 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))
BDBM238174
PNG
(US9394293, G159a)
Show SMILES Cc1ccc2nc(NC(=O)c3ccc(cc3)-c3ncc(C[C@@H](O)CO)cc3F)sc2c1 |r|
Show InChI InChI=1S/C23H20FN3O3S/c1-13-2-7-19-20(8-13)31-23(26-19)27-22(30)16-5-3-15(4-6-16)21-18(24)10-14(11-25-21)9-17(29)12-28/h2-8,10-11,17,28-29H,9,12H2,1H3,(H,26,27,30)/t17-/m1/s1
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n/an/a 13.7n/an/an/an/a7.437



Purdue Pharma L.P.

US Patent


Assay Description
Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 μL of loading buff...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238172
PNG
(US9394293, G156a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2s1 |r|
Show InChI InChI=1S/C22H17ClFN3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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n/an/a 18.8n/an/an/an/a7.437



Purdue Pharma L.P.

US Patent


Assay Description
Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 μL of loading buff...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238173
PNG
(US9394293, G158a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C22H17F2N3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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n/an/a 23.1n/an/an/an/a7.437



Purdue Pharma L.P.

US Patent


Assay Description
Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 μL of loading buff...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238172
PNG
(US9394293, G156a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2s1 |r|
Show InChI InChI=1S/C22H17ClFN3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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n/an/a 28.7n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238174
PNG
(US9394293, G159a)
Show SMILES Cc1ccc2nc(NC(=O)c3ccc(cc3)-c3ncc(C[C@@H](O)CO)cc3F)sc2c1 |r|
Show InChI InChI=1S/C23H20FN3O3S/c1-13-2-7-19-20(8-13)31-23(26-19)27-22(30)16-5-3-15(4-6-16)21-18(24)10-14(11-25-21)9-17(29)12-28/h2-8,10-11,17,28-29H,9,12H2,1H3,(H,26,27,30)/t17-/m1/s1
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n/an/a 29.6n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238170
PNG
(US9394293, G155a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m1/s1
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n/an/a 31.9n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238170
PNG
(US9394293, G155a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m1/s1
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n/an/a 44.3n/an/an/an/a7.437



Purdue Pharma L.P.

US Patent


Assay Description
Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 μL of loading buff...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238171
PNG
(US9394293, G155b)
Show SMILES OC[C@@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m0/s1
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n/an/a 45n/an/an/an/a7.437



Purdue Pharma L.P.

US Patent


Assay Description
Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 μL of loading buff...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238173
PNG
(US9394293, G158a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C22H17F2N3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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n/an/a 77n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238175
PNG
(US9394293, G215a)
Show SMILES Cc1cc2nc(NC(=O)c3ccc(cc3)-c3ncc(C[C@@H](O)CO)cc3F)sc2cc1C |r|
Show InChI InChI=1S/C24H22FN3O3S/c1-13-7-20-21(8-14(13)2)32-24(27-20)28-23(31)17-5-3-16(4-6-17)22-19(25)10-15(11-26-22)9-18(30)12-29/h3-8,10-11,18,29-30H,9,12H2,1-2H3,(H,27,28,31)/t18-/m1/s1
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n/an/a 105n/an/an/an/a7.437



Purdue Pharma L.P.

US Patent


Assay Description
Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 μL of loading buff...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238171
PNG
(US9394293, G155b)
Show SMILES OC[C@@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m0/s1
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n/an/a 117n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238175
PNG
(US9394293, G215a)
Show SMILES Cc1cc2nc(NC(=O)c3ccc(cc3)-c3ncc(C[C@@H](O)CO)cc3F)sc2cc1C |r|
Show InChI InChI=1S/C24H22FN3O3S/c1-13-7-20-21(8-14(13)2)32-24(27-20)28-23(31)17-5-3-16(4-6-17)22-19(25)10-15(11-26-22)9-18(30)12-29/h3-8,10-11,18,29-30H,9,12H2,1-2H3,(H,27,28,31)/t18-/m1/s1
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n/an/a 219n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238170
PNG
(US9394293, G155a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m1/s1
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n/an/a 307n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
CHO cells stably expressing human TRPV1 (hTRPV1) were used. Functional assessment of heat-induced activation of hTRPV1 was carried out in a cell-base...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238171
PNG
(US9394293, G155b)
Show SMILES OC[C@@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m0/s1
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n/an/a 580n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
CHO cells stably expressing human TRPV1 (hTRPV1) were used. Functional assessment of heat-induced activation of hTRPV1 was carried out in a cell-base...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238173
PNG
(US9394293, G158a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C22H17F2N3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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n/an/a 598n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
CHO cells stably expressing human TRPV1 (hTRPV1) were used. Functional assessment of heat-induced activation of hTRPV1 was carried out in a cell-base...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238174
PNG
(US9394293, G159a)
Show SMILES Cc1ccc2nc(NC(=O)c3ccc(cc3)-c3ncc(C[C@@H](O)CO)cc3F)sc2c1 |r|
Show InChI InChI=1S/C23H20FN3O3S/c1-13-2-7-19-20(8-13)31-23(26-19)27-22(30)16-5-3-15(4-6-16)21-18(24)10-14(11-25-21)9-17(29)12-28/h2-8,10-11,17,28-29H,9,12H2,1H3,(H,26,27,30)/t17-/m1/s1
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n/an/a 879n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
CHO cells stably expressing human TRPV1 (hTRPV1) were used. Functional assessment of heat-induced activation of hTRPV1 was carried out in a cell-base...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM238172
PNG
(US9394293, G156a)
Show SMILES OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2s1 |r|
Show InChI InChI=1S/C22H17ClFN3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
CHO cells stably expressing human TRPV1 (hTRPV1) were used. Functional assessment of heat-induced activation of hTRPV1 was carried out in a cell-base...


US Patent US9394293 (2016)


BindingDB Entry DOI: 10.7270/Q2W9582W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%