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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'joo' and Initial = 'yh'   
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


(Rattus norvegicus (rat))
BDBM50170264
PNG
(CHEMBL361931 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 8.40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224228
PNG
(CHEMBL46233)
Show SMILES CC(C)(C)C(=O)OCc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show InChI InChI=1S/C26H36FN3O4S2/c1-25(2,3)20-10-9-18(19(13-20)16-34-23(31)26(4,5)6)15-29-24(35)28-14-17-8-11-22(21(27)12-17)30-36(7,32)33/h8-13,30H,14-16H2,1-7H3,(H2,28,29,35)
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n/an/a 15n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224175
PNG
(CHEMBL48061)
Show SMILES CCCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show InChI InChI=1S/C24H34FN3O3S2/c1-6-7-12-31-22-14-19(24(2,3)4)10-9-18(22)16-27-23(32)26-15-17-8-11-21(20(25)13-17)28-33(5,29)30/h8-11,13-14,28H,6-7,12,15-16H2,1-5H3,(H2,26,27,32)
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n/an/a 20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224176
PNG
(CHEMBL296963)
Show SMILES NC(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C10H14N4O/c11-10(15)14-7-5-13(6-8-14)9-3-1-2-4-12-9/h1-4H,5-8H2,(H2,11,15)
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n/an/a 30n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160036
PNG
(CHEMBL183121 | N-(4-tert-Butyl-phenyl)-4-pyridin-2...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-11-13-19(14-12-18)24-21(25)17-9-7-16(8-10-17)20-6-4-5-15-23-20/h4-15H,1-3H3,(H,24,25)
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n/an/a 31n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160028
PNG
(CHEMBL180138 | N-(4-tert-Butyl-phenyl)-4-(3-methyl...)
Show SMILES Cc1cccnc1-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H24N2O/c1-16-6-5-15-24-21(16)17-7-9-18(10-8-17)22(26)25-20-13-11-19(12-14-20)23(2,3)4/h5-15H,1-4H3,(H,25,26)
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n/an/a 31n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [Ca2+] uptake in dorsal root ganglion (DRG) neurons from neonatal Sprague-Dawley rat


Bioorg Med Chem Lett 13: 4389-93 (2003)


BindingDB Entry DOI: 10.7270/Q2KH0QJX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160033
PNG
(CHEMBL183795 | N-(4-Isopropyl-phenyl)-4-pyridin-2-...)
Show SMILES CC(C)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H20N2O/c1-15(2)16-10-12-19(13-11-16)23-21(24)18-8-6-17(7-9-18)20-5-3-4-14-22-20/h3-15H,1-2H3,(H,23,24)
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n/an/a 38n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172566
PNG
(CHEMBL196291 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(I)c2)cc1
Show InChI InChI=1S/C20H26IN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 41n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172563
PNG
(1-(1H-Benzotriazol-5-ylmethyl)-3-(4-tert-butyl-ben...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc3nn[nH]c3c2)cc1
Show InChI InChI=1S/C19H23N5S/c1-19(2,3)15-7-4-13(5-8-15)11-20-18(25)21-12-14-6-9-16-17(10-14)23-24-22-16/h4-10H,11-12H2,1-3H3,(H2,20,21,25)(H,22,23,24)
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n/an/a 50n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 54n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Concentration required to inhibit [3H]-RTX radioligand binding towards transient receptor potential cation channel (subfamily V, member 1) expressed ...


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160039
PNG
(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C22H21ClN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 55n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160030
PNG
(CHEMBL181478 | N-(4-tert-Butyl-phenyl)-4-pyrimidin...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccn2)cc1
Show InChI InChI=1S/C21H21N3O/c1-21(2,3)17-9-11-18(12-10-17)24-20(25)16-7-5-15(6-8-16)19-22-13-4-14-23-19/h4-14H,1-3H3,(H,24,25)
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224234
PNG
(CHEMBL45252)
Show SMILES CCCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C24H35N3O3S2/c1-6-7-14-30-22-15-20(24(2,3)4)11-10-19(22)17-26-23(31)25-16-18-8-12-21(13-9-18)27-32(5,28)29/h8-13,15,27H,6-7,14,16-17H2,1-5H3,(H2,25,26,31)
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160027
PNG
(CHEMBL183045 | N-(4-tert-Butyl-phenyl)-4-(3-nitro-...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H21N3O3/c1-22(2,3)17-10-12-18(13-11-17)24-21(26)16-8-6-15(7-9-16)20-19(25(27)28)5-4-14-23-20/h4-14H,1-3H3,(H,24,26)
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224229
PNG
(CHEMBL48998)
Show SMILES CC(C)(C)COc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C25H37N3O3S2/c1-24(2,3)17-31-22-14-20(25(4,5)6)11-10-19(22)16-27-23(32)26-15-18-8-12-21(13-9-18)28-33(7,29)30/h8-14,28H,15-17H2,1-7H3,(H2,26,27,32)
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224232
PNG
(CHEMBL296729)
Show SMILES COCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C23H33N3O4S2/c1-23(2,3)19-9-8-18(21(14-19)30-13-12-29-4)16-25-22(31)24-15-17-6-10-20(11-7-17)26-32(5,27)28/h6-11,14,26H,12-13,15-16H2,1-5H3,(H2,24,25,31)
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224196
PNG
(CHEMBL43723)
Show SMILES CC(C)(C)COc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show InChI InChI=1S/C25H36FN3O3S2/c1-24(2,3)16-32-22-13-19(25(4,5)6)10-9-18(22)15-28-23(33)27-14-17-8-11-21(20(26)12-17)29-34(7,30)31/h8-13,29H,14-16H2,1-7H3,(H2,27,28,33)
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n/an/a 66n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224237
PNG
(CHEMBL431341)
Show SMILES CCCCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C25H37N3O3S2/c1-6-7-8-15-31-23-16-21(25(2,3)4)12-11-20(23)18-27-24(32)26-17-19-9-13-22(14-10-19)28-33(5,29)30/h9-14,16,28H,6-8,15,17-18H2,1-5H3,(H2,26,27,32)
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n/an/a 70n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224230
PNG
(CHEMBL47282)
Show SMILES CC(C)(C)C(=O)OCc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C26H37N3O4S2/c1-25(2,3)21-11-10-19(20(14-21)17-33-23(30)26(4,5)6)16-28-24(34)27-15-18-8-12-22(13-9-18)29-35(7,31)32/h8-14,29H,15-17H2,1-7H3,(H2,27,28,34)
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n/an/a 70n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50170263
PNG
(CHEMBL189418 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(C[N-]C(=[SH+])NCc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H26N4O4S2/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(29)22-13-15-7-10-17(23-30(4,27)28)18(11-15)24(25)26/h5-11,23H,12-13H2,1-4H3,(H2,21,22,29)
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n/an/a 71n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172578
PNG
(CHEMBL196085 | N-{2-Bromo-4-[3-(4-tert-butyl-benzy...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Br)c2)cc1
Show InChI InChI=1S/C20H26BrN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/a 110n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [Ca2+] uptake in dorsal root ganglion (DRG) neurons from neonatal Sprague-Dawley rat


Bioorg Med Chem Lett 13: 4389-93 (2003)


BindingDB Entry DOI: 10.7270/Q2KH0QJX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/a 110n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/a 110n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160031
PNG
(CHEMBL180902 | N-(4-tert-Butyl-phenyl)-4-(3-triflu...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O/c1-22(2,3)17-10-12-18(13-11-17)28-21(29)16-8-6-15(7-9-16)20-19(23(24,25)26)5-4-14-27-20/h4-14H,1-3H3,(H,28,29)
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n/an/a 140n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224239
PNG
(CHEMBL295773)
Show SMILES CCCCCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C26H39N3O3S2/c1-6-7-8-9-16-32-24-17-22(26(2,3)4)13-12-21(24)19-28-25(33)27-18-20-10-14-23(15-11-20)29-34(5,30)31/h10-15,17,29H,6-9,16,18-19H2,1-5H3,(H2,27,28,33)
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n/an/a 150n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160041
PNG
(4-Pyridin-2-yl-piperazine-1-carboxylic acid (4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C20H26N4O/c1-20(2,3)16-7-9-17(10-8-16)22-19(25)24-14-12-23(13-15-24)18-6-4-5-11-21-18/h4-11H,12-15H2,1-3H3,(H,22,25)
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n/an/a 150n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172590
PNG
(CHEMBL196255 | N-{4-[3-(3,5-Di-tert-butyl-benzyl)-...)
Show SMILES CC(C)(C)c1cc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc(c1)C(C)(C)C
Show InChI InChI=1S/C24H34FN3O2S2/c1-23(2,3)18-10-17(11-19(13-18)24(4,5)6)15-27-22(31)26-14-16-8-9-21(20(25)12-16)28-32(7,29)30/h8-13,28H,14-15H2,1-7H3,(H2,26,27,31)
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n/an/a 200n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224100
PNG
(CHEMBL44057)
Show SMILES CC(C)(C)C(=O)Oc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C25H35N3O4S2/c1-24(2,3)19-11-10-18(21(14-19)32-22(29)25(4,5)6)16-27-23(33)26-15-17-8-12-20(13-9-17)28-34(7,30)31/h8-14,28H,15-16H2,1-7H3,(H2,26,27,33)
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n/an/a 220n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172567
PNG
(CHEMBL197222 | N-{4-[3-(4-tert-Butyl-benzyl)-ureid...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H26N4O5S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23-30(4,28)29)18(11-15)24(26)27/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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n/an/a 240n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172587
PNG
(CHEMBL197770 | N-{4-[3-(4-tert-Butyl-benzyl)-ureid...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
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n/an/a 240n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224235
PNG
(CHEMBL45417)
Show SMILES CCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C23H33N3O3S2/c1-6-13-29-21-14-19(23(2,3)4)10-9-18(21)16-25-22(30)24-15-17-7-11-20(12-8-17)26-31(5,27)28/h7-12,14,26H,6,13,15-16H2,1-5H3,(H2,24,25,30)
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n/an/a 250n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160042
PNG
(CHEMBL183835 | N-(4-tert-Butyl-phenyl)-4-pyridin-4...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H22N2O/c1-22(2,3)19-8-10-20(11-9-19)24-21(25)18-6-4-16(5-7-18)17-12-14-23-15-13-17/h4-15H,1-3H3,(H,24,25)
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n/an/a 280n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion


Bioorg Med Chem Lett 15: 631-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.033
BindingDB Entry DOI: 10.7270/Q25T3JZR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484888
PNG
(CHEMBL2011797)
Show SMILES COc1ccc(C(=O)NCc2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C15H15NO5/c1-21-11-4-5-12(14(19)7-11)15(20)16-8-9-2-3-10(17)6-13(9)18/h2-7,17-19H,8H2,1H3,(H,16,20)
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n/an/a 300n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172598
PNG
(CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
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n/an/a 300n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224226
PNG
(CHEMBL45455)
Show SMILES COc1cc(CC\N=C(/S)NCCc2ccccc2)ccc1O
Show InChI InChI=1S/C18H22N2O2S/c1-22-17-13-15(7-8-16(17)21)10-12-20-18(23)19-11-9-14-5-3-2-4-6-14/h2-8,13,21H,9-12H2,1H3,(H2,19,20,23)
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n/an/a 320n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172595
PNG
(CHEMBL196229 | N-{4-[3-(4-Chloro-benzyl)-thioureid...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=S)NCc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C16H17ClFN3O2S2/c1-25(22,23)21-15-7-4-12(8-14(15)18)10-20-16(24)19-9-11-2-5-13(17)6-3-11/h2-8,21H,9-10H2,1H3,(H2,19,20,24)
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n/an/a 340n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224238
PNG
(CHEMBL47602)
Show SMILES CC(C)Oc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C23H33N3O3S2/c1-16(2)29-21-13-19(23(3,4)5)10-9-18(21)15-25-22(30)24-14-17-7-11-20(12-8-17)26-31(6,27)28/h7-13,16,26H,14-15H2,1-6H3,(H2,24,25,30)
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n/an/a 350n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172581
PNG
(CHEMBL194592 | N-(4-{3-[2-(4-tert-Butyl-phenyl)-et...)
Show SMILES CC(C)(C)c1ccc(CCNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H28FN3O2S2/c1-21(2,3)17-8-5-15(6-9-17)11-12-23-20(28)24-14-16-7-10-19(18(22)13-16)25-29(4,26)27/h5-10,13,25H,11-12,14H2,1-4H3,(H2,23,24,28)
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n/an/a 370n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50484884
PNG
(CHEMBL2011798)
Show SMILES COc1ccc(C(=O)NCc2ccc(O)cc2O)c(OC)c1
Show InChI InChI=1S/C16H17NO5/c1-21-12-5-6-13(15(8-12)22-2)16(20)17-9-10-3-4-11(18)7-14(10)19/h3-8,18-19H,9H2,1-2H3,(H,17,20)
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n/an/a 400n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 22: 2110-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.144
BindingDB Entry DOI: 10.7270/Q2T72M9Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172560
PNG
(CHEMBL382920 | N-{2-Fluoro-4-[3-(4-propyl-benzyl)-...)
Show SMILES CCCc1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C19H24FN3O2S2/c1-3-4-14-5-7-15(8-6-14)12-21-19(26)22-13-16-9-10-18(17(20)11-16)23-27(2,24)25/h5-11,23H,3-4,12-13H2,1-2H3,(H2,21,22,26)
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n/an/a 460n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172582
PNG
(CHEMBL198139 | N-{4-[3-(4-Butyl-benzyl)-thioureido...)
Show SMILES CCCCc1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-3-4-5-15-6-8-16(9-7-15)13-22-20(27)23-14-17-10-11-19(18(21)12-17)24-28(2,25)26/h6-12,24H,3-5,13-14H2,1-2H3,(H2,22,23,27)
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n/an/a 470n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224195
PNG
(CHEMBL48102)
Show SMILES COCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C22H31N3O4S2/c1-22(2,3)18-9-8-17(20(12-18)29-15-28-4)14-24-21(30)23-13-16-6-10-19(11-7-16)25-31(5,26)27/h6-12,25H,13-15H2,1-5H3,(H2,23,24,30)
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n/an/a 500n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172565
PNG
(CHEMBL198300 | N-{2-Fluoro-4-[3-(4-isopropyl-benzy...)
Show SMILES CC(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C19H24FN3O2S2/c1-13(2)16-7-4-14(5-8-16)11-21-19(26)22-12-15-6-9-18(17(20)10-15)23-27(3,24)25/h4-10,13,23H,11-12H2,1-3H3,(H2,21,22,26)
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n/an/a 520n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50172593
PNG
(CHEMBL196281 | N-{4-[3-(4-Bromo-benzyl)-thioureido...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=S)NCc2ccc(Br)cc2)cc1F
Show InChI InChI=1S/C16H17BrFN3O2S2/c1-25(22,23)21-15-7-4-12(8-14(15)18)10-20-16(24)19-9-11-2-5-13(17)6-3-11/h2-8,21H,9-10H2,1H3,(H2,19,20,24)
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n/an/a 570n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50224194
PNG
(CHEMBL47473)
Show SMILES CC(=O)OCc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C
Show InChI InChI=1S/C23H31N3O4S2/c1-16(27)30-15-19-12-20(23(2,3)4)9-8-18(19)14-25-22(31)24-13-17-6-10-21(11-7-17)26-32(5,28)29/h6-12,26H,13-15H2,1-5H3,(H2,24,25,31)
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n/an/a 580n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons


Bioorg Med Chem Lett 14: 1693-6 (2004)


BindingDB Entry DOI: 10.7270/Q23B6294
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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n/an/a 590n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of [Ca2+] uptake in dorsal root ganglion (DRG) neurons from neonatal Sprague-Dawley rat


Bioorg Med Chem Lett 13: 4389-93 (2003)


BindingDB Entry DOI: 10.7270/Q2KH0QJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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