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Compile Data Set for Download or QSAR

Found 6007 hits of affinity data for UniProtKB/TrEMBL: Q8NER1   
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))
BDBM50434903
PNG
(CHEMBL2385223)
Show SMILES CC(C(=O)NCc1ccc(nc1OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H23F4N3O4S/c1-15(17-8-10-20(19(25)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(26,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
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0.00100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR a...


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay


Bioorg Med Chem 21: 6657-64 (2013)


Article DOI: 10.1016/j.bmc.2013.08.015
BindingDB Entry DOI: 10.7270/Q26Q1ZPN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061298
PNG
(CHEMBL3393837)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-15-8-11-31(12-9-15)21-17(5-6-20(30-21)23(24,25)26)14-28-22(32)29-19-4-2-3-16-13-27-10-7-18(16)19/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,28,29,32)
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0.0200n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of NADA-induced effect at 1 uM by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50049553
PNG
(CHEMBL2177428)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
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0.0200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activation by FLIPR assay


Bioorg Med Chem Lett 25: 2326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.024
BindingDB Entry DOI: 10.7270/Q2Z60QSC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073160
PNG
(CHEMBL3407762)
Show SMILES CCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl
Show InChI InChI=1S/C21H25ClF3N3O4S/c1-4-5-10-32-20-15(7-9-18(27-20)21(22,24)25)12-26-19(29)13(2)14-6-8-17(16(23)11-14)28-33(3,30)31/h6-9,11,13,28H,4-5,10,12H2,1-3H3,(H,26,29)
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0.0200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50049553
PNG
(CHEMBL2177428)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
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0.0200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50128911
PNG
(CHEMBL3627723)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1SC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C24H28F4N2O3S2/c1-15(16-9-11-21(20(25)12-16)30-35(2,32)33)23(31)29-14-17-8-10-18(24(26,27)28)13-22(17)34-19-6-4-3-5-7-19/h8-13,15,19,30H,3-7,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of NADA-induced activation by FLIPR assay


Bioorg Med Chem 23: 6844-54 (2015)


Article DOI: 10.1016/j.bmc.2015.10.001
BindingDB Entry DOI: 10.7270/Q2DZ0B4X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50128922
PNG
(CHEMBL3627950)
Show SMILES CC(C(=O)NCc1ccc(cc1SC1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H26F4N2O3S2/c1-14(15-8-10-20(19(24)11-15)29-34(2,31)32)22(30)28-13-16-7-9-17(23(25,26)27)12-21(16)33-18-5-3-4-6-18/h7-12,14,18,29H,3-6,13H2,1-2H3,(H,28,30)
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0.0300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of NADA-induced activation by FLIPR assay


Bioorg Med Chem 23: 6844-54 (2015)


Article DOI: 10.1016/j.bmc.2015.10.001
BindingDB Entry DOI: 10.7270/Q2DZ0B4X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176555
PNG
(US9120756, 17)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of NADA-induced intracellular calcium level preincubated with cells ...


Bioorg Med Chem Lett 27: 4383-4388 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.020
BindingDB Entry DOI: 10.7270/Q2CF9SPD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073159
PNG
(CHEMBL3407765)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H25ClF3N3O4S/c1-13(14-7-9-18(17(24)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(23,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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0.0400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50442379
PNG
(CHEMBL2442912)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1SC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H27F4N3O3S2/c1-14(15-8-10-19(18(24)12-15)30-35(2,32)33)21(31)28-13-16-9-11-20(23(25,26)27)29-22(16)34-17-6-4-3-5-7-17/h8-12,14,17,30H,3-7,13H2,1-2H3,(H,28,31)/t14-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay


Bioorg Med Chem 21: 6657-64 (2013)


Article DOI: 10.1016/j.bmc.2013.08.015
BindingDB Entry DOI: 10.7270/Q26Q1ZPN
More data for this
Ligand-Target Pair
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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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))
BDBM342149
PNG
(1-((2-(tert-butyl)-4-(3-chlorophenyl)thiazol-5-yl)...)
Show SMILES CC(C)(C)c1nc(c(CNC(=O)Nc2cccc3cnccc23)s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H23ClN4OS/c1-24(2,3)22-29-21(15-6-4-8-17(25)12-15)20(31-22)14-27-23(30)28-19-9-5-7-16-13-26-11-10-18(16)19/h4-13H,14H2,1-3H3,(H2,27,28,30)
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0.100n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...


US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046396
PNG
(CHEMBL3314411)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1S/C25H29F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-9,13,15,32H,10-12,14H2,1-4H3,(H,30,33)/t15-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046377
PNG
(CHEMBL3314406)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=C[C@H](C)CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1S/C24H27F4N3O3S/c1-14-5-4-6-17(11-14)22-18(8-10-21(30-22)24(26,27)28)13-29-23(32)15(2)16-7-9-20(19(25)12-16)31-35(3,33)34/h7-12,14-15,31H,4-6,13H2,1-3H3,(H,29,32)/t14-,15?/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046379
PNG
(CHEMBL3314407)
Show SMILES CCC1CCC(=CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |c:5|
Show InChI InChI=1S/C25H29F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h7,9-13,15-16,32H,4-6,8,14H2,1-3H3,(H,30,33)
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176555
PNG
(US9120756, 17)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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US Patent
0.100 -59.4n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176564
PNG
(US9120756, 26)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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US Patent
0.100 -59.4n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50088020
PNG
(CHEMBL3427109)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)C(c1cccc(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H32F4N4O3S/c1-18-11-13-37(14-12-18)27-22(8-10-25(35-27)29(31,32)33)17-34-28(38)26(20-6-4-5-19(2)15-20)21-7-9-24(23(30)16-21)36-41(3,39)40/h4-10,15-16,18,26,36H,11-14,17H2,1-3H3,(H,34,38)
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay


Bioorg Med Chem Lett 25: 2326-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.024
BindingDB Entry DOI: 10.7270/Q2Z60QSC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176555
PNG
(US9120756, 17)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 6 ...


Bioorg Med Chem Lett 27: 4383-4388 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.020
BindingDB Entry DOI: 10.7270/Q2CF9SPD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50450981
PNG
(CHEMBL4215829)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(F)c(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C24H27ClF2N4O3S/c1-14(15-6-9-21(20(27)10-15)30-35(5,33)34)23(32)28-13-17-12-22(24(2,3)4)29-31(17)16-7-8-19(26)18(25)11-16/h6-12,14,30H,13H2,1-5H3,(H,28,32)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 6 ...


Bioorg Med Chem Lett 27: 4383-4388 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.020
BindingDB Entry DOI: 10.7270/Q2CF9SPD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176564
PNG
(US9120756, 26)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 6 ...


Bioorg Med Chem Lett 27: 4383-4388 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.020
BindingDB Entry DOI: 10.7270/Q2CF9SPD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176564
PNG
(US9120756, 26)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of NADA-induced intracellular calcium level preincubated with cells ...


Bioorg Med Chem Lett 27: 4383-4388 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.020
BindingDB Entry DOI: 10.7270/Q2CF9SPD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50463472
PNG
(CHEMBL4242293)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H23Cl2F3N4O/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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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in NADA-induced intracellular calcium level preincubated with cells...


Bioorg Med Chem 26: 4509-4517 (2018)


Article DOI: 10.1016/j.bmc.2018.07.040
BindingDB Entry DOI: 10.7270/Q2348P1P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50256547
PNG
(CHEMBL4104073)
Show SMILES CCC1CCN(CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show InChI InChI=1S/C27H39FN4O3S/c1-7-19-12-14-32(15-13-19)25-21(9-11-24(30-25)27(3,4)5)17-29-26(33)18(2)20-8-10-23(22(28)16-20)31-36(6,34)35/h8-11,16,18-19,31H,7,12-15,17H2,1-6H3,(H,29,33)
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0.100n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed...


Bioorg Med Chem 25: 2451-2462 (2017)


Article DOI: 10.1016/j.bmc.2017.03.004
BindingDB Entry DOI: 10.7270/Q2BZ68HP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046394
PNG
(CHEMBL3314409)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1S/C27H33F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h6,8-9,12-14,16,20,34H,7,10-11,15H2,1-5H3,(H,32,35)/t16-,20?/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50052440
PNG
(CHEMBL104647 | Phenyl-acetic acid (1aR,1bS,4aR,7aS...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O |t:10,41|
Show InChI InChI=1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33?,35-,37-,38-,39-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory constant for RTX binding to porcine spinal cord


J Med Chem 39: 3123-31 (1996)


Article DOI: 10.1021/jm960063l
BindingDB Entry DOI: 10.7270/Q2VT1SRD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046388
PNG
(CHEMBL3314408)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1S/C27H33F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h6,8-9,12-14,16,20,34H,7,10-11,15H2,1-5H3,(H,32,35)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398484
PNG
(CHEMBL2177440)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccccc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H32F4N4O3S/c1-19(22-8-10-25(24(30)17-22)36-41(2,39)40)28(38)34-18-23-9-11-26(29(31,32)33)35-27(23)37-14-12-21(13-15-37)16-20-6-4-3-5-7-20/h3-11,17,19,21,36H,12-16,18H2,1-2H3,(H,34,38)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046295
PNG
(CHEMBL3314389)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced increase in intracellular Ca2+ le...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50049529
PNG
(CHEMBL3317476)
Show SMILES CC(C(=O)NCc1ccc(nc1-c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H19ClF5N3O3S/c1-12(13-4-7-19(18(26)10-13)32-36(2,34)35)22(33)30-11-15-5-8-20(23(27,28)29)31-21(15)14-3-6-17(25)16(24)9-14/h3-10,12,32H,11H2,1-2H3,(H,30,33)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced channel activation by FLIPR assay


Bioorg Med Chem Lett 24: 4044-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.072
BindingDB Entry DOI: 10.7270/Q2JH3NTH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061298
PNG
(CHEMBL3393837)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-15-8-11-31(12-9-15)21-17(5-6-20(30-21)23(24,25)26)14-28-22(32)29-19-4-2-3-16-13-27-10-7-18(16)19/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,28,29,32)
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0.200n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046282
PNG
(CHEMBL3314377)
Show SMILES CC(C(=O)NCc1ccc(nc1Cl)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C17H16ClF4N3O3S/c1-9(10-3-5-13(12(19)7-10)25-29(2,27)28)16(26)23-8-11-4-6-14(17(20,21)22)24-15(11)18/h3-7,9,25H,8H2,1-2H3,(H,23,26)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046299
PNG
(CHEMBL3314393)
Show SMILES CCC1CCC(CC1)c1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r,wU:18.20,(10.24,-14.41,;8.9,-13.63,;8.91,-12.08,;7.58,-11.3,;7.58,-9.77,;8.92,-9,;10.25,-9.76,;10.24,-11.31,;8.92,-7.46,;7.59,-6.69,;7.59,-5.14,;8.92,-4.37,;10.25,-5.13,;10.26,-6.68,;11.59,-7.45,;12.92,-6.68,;14.26,-7.45,;14.26,-8.99,;15.59,-6.68,;15.59,-5.14,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,)|
Show InChI InChI=1S/C25H31F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h9-13,15-17,32H,4-8,14H2,1-3H3,(H,30,33)/t15-,16?,17?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046366
PNG
(CHEMBL3314404)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1S/C24H27F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h6,8-12,14-15,31H,4-5,7,13H2,1-3H3,(H,29,32)/t14?,15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046375
PNG
(CHEMBL3314405)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CC(C)CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1S/C24H27F4N3O3S/c1-14-5-4-6-17(11-14)22-18(8-10-21(30-22)24(26,27)28)13-29-23(32)15(2)16-7-9-20(19(25)12-16)31-35(3,33)34/h7-12,14-15,31H,4-6,13H2,1-3H3,(H,29,32)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Bioorg Med Chem 21: 6657-64 (2013)


Article DOI: 10.1016/j.bmc.2013.08.015
BindingDB Entry DOI: 10.7270/Q26Q1ZPN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398511
PNG
(CHEMBL2178063)
Show SMILES CCCN(CCC)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H30F4N4O3S/c1-5-11-31(12-6-2)21-17(8-10-20(29-21)23(25,26)27)14-28-22(32)15(3)16-7-9-19(18(24)13-16)30-35(4,33)34/h7-10,13,15,30H,5-6,11-12,14H2,1-4H3,(H,28,32)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398511
PNG
(CHEMBL2178063)
Show SMILES CCCN(CCC)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H30F4N4O3S/c1-5-11-31(12-6-2)21-17(8-10-20(29-21)23(25,26)27)14-28-22(32)15(3)16-7-9-19(18(24)13-16)30-35(4,33)34/h7-10,13,15,30H,5-6,11-12,14H2,1-4H3,(H,28,32)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay


Bioorg Med Chem 23: 6844-54 (2015)


Article DOI: 10.1016/j.bmc.2015.10.001
BindingDB Entry DOI: 10.7270/Q2DZ0B4X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398484
PNG
(CHEMBL2177440)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccccc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H32F4N4O3S/c1-19(22-8-10-25(24(30)17-22)36-41(2,39)40)28(38)34-18-23-9-11-26(29(31,32)33)35-27(23)37-14-12-21(13-15-37)16-20-6-4-3-5-7-20/h3-11,17,19,21,36H,12-16,18H2,1-2H3,(H,34,38)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay


Bioorg Med Chem 23: 6844-54 (2015)


Article DOI: 10.1016/j.bmc.2015.10.001
BindingDB Entry DOI: 10.7270/Q2DZ0B4X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046295
PNG
(CHEMBL3314389)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay


Bioorg Med Chem 23: 6844-54 (2015)


Article DOI: 10.1016/j.bmc.2015.10.001
BindingDB Entry DOI: 10.7270/Q2DZ0B4X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in capsaicin-induced intracellular calcium level preincubated for 6...


Bioorg Med Chem 26: 4509-4517 (2018)


Article DOI: 10.1016/j.bmc.2018.07.040
BindingDB Entry DOI: 10.7270/Q2348P1P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50275762
PNG
(CHEMBL4125690)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1cc(F)c(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H27F5N4O3S/c1-13-6-8-32(9-7-13)21-15(4-5-19(30-21)23(26,27)28)12-29-22(33)14(2)16-10-17(24)20(18(25)11-16)31-36(3,34)35/h4-5,10-11,13-14,31H,6-9,12H2,1-3H3,(H,29,33)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in CHOK1 cells assessed as reduction in capsaicin-induced Ca2+ flux after 15 mins by fluo-4-...


Bioorg Med Chem Lett 28: 2539-2542 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.043
BindingDB Entry DOI: 10.7270/Q2MP55RX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398552
PNG
(CHEMBL2178059)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccc(F)c(F)c2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H30F6N4O3S/c1-17(20-4-7-25(24(32)15-20)38-43(2,41)42)28(40)36-16-21-5-8-26(29(33,34)35)37-27(21)39-11-9-18(10-12-39)13-19-3-6-22(30)23(31)14-19/h3-8,14-15,17-18,38H,9-13,16H2,1-2H3,(H,36,40)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398553
PNG
(CHEMBL2177441)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccc(C)cc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C30H34F4N4O3S/c1-19-4-6-21(7-5-19)16-22-12-14-38(15-13-22)28-24(9-11-27(36-28)30(32,33)34)18-35-29(39)20(2)23-8-10-26(25(31)17-23)37-42(3,40)41/h4-11,17,20,22,37H,12-16,18H2,1-3H3,(H,35,39)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046395
PNG
(CHEMBL3314410)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1S/C25H29F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-9,13,15,32H,10-12,14H2,1-4H3,(H,30,33)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398493
PNG
(CHEMBL2177430)
Show SMILES C[C@@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR a...


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
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