Found 39 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
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PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20321
(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) | PDB
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| 9.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170266
(CHEMBL363267 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-17(11-18(15)21)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
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| 27.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170262
(CHEMBL190637 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1 Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-17(11-18(15)21)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
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| 45.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20330
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28) | PDB
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| 50.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20321
(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) | PDB
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| 53.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20315
(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) | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20315
(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) | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170253
(CHEMBL365213 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H26F3N3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-25-19(30)26-13-15-7-10-17(27-31(4,28)29)11-18(15)21(22,23)24/h5-11,27H,12-13H2,1-4H3,(H2,25,26,30) | PDB
MMDB
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| Article
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| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170262
(CHEMBL190637 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1 Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-17(11-18(15)21)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
MMDB
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PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170251
(2-Azido-ethanesulfonic acid {4-[3-(4-tert-butyl-be...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(=O)(=O)CCN=[N+]=[N-])cc2)cc1 Show InChI InChI=1S/C21H28N6O2S2/c1-21(2,3)18-8-4-16(5-9-18)14-23-20(30)24-15-17-6-10-19(11-7-17)26-31(28,29)13-12-25-27-22/h4-11,26H,12-15H2,1-3H3,(H2,23,24,30) | PDB
MMDB
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| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170252
(CHEMBL425180 | N-{5-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)nc2)cc1 Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)16-8-5-14(6-9-16)11-21-18(26)22-13-15-7-10-17(20-12-15)23-27(4,24)25/h5-10,12H,11,13H2,1-4H3,(H,20,23)(H2,21,22,26) | PDB
MMDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170266
(CHEMBL363267 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-17(11-18(15)21)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27) | PDB
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UniChem
| Article
PubMed
| 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170251
(2-Azido-ethanesulfonic acid {4-[3-(4-tert-butyl-be...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(=O)(=O)CCN=[N+]=[N-])cc2)cc1 Show InChI InChI=1S/C21H28N6O2S2/c1-21(2,3)18-8-4-16(5-9-18)14-23-20(30)24-15-17-6-10-19(11-7-17)26-31(28,29)13-12-25-27-22/h4-11,26H,12-15H2,1-3H3,(H2,23,24,30) | PDB
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Similars
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| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170256
(CHEMBL426266 | Ethenesulfonic acid {4-[3-(4-tert-b...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(=O)(=O)C=C)cc2)cc1 Show InChI InChI=1S/C21H27N3O2S2/c1-5-28(25,26)24-19-12-8-17(9-13-19)15-23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h5-13,24H,1,14-15H2,2-4H3,(H2,22,23,27) | PDB
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Similars
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| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170264
(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) | PDB
MMDB
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PC sid
UniChem
Similars
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170253
(CHEMBL365213 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H26F3N3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-25-19(30)26-13-15-7-10-17(27-31(4,28)29)11-18(15)21(22,23)24/h5-11,27H,12-13H2,1-4H3,(H2,25,26,30) | PDB
MMDB
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UniChem
| Article
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| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20284
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)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) | PDB
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| PDB
Article
PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170255
(1-(4-tert-Butyl-benzyl)-3-(3-methylsulfanyl-benzyl...)Show InChI InChI=1S/C20H26N2S2/c1-20(2,3)17-10-8-15(9-11-17)13-21-19(23)22-14-16-6-5-7-18(12-16)24-4/h5-12H,13-14H2,1-4H3,(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170263
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50139640
(CHEMBL165272 | N-4-Substituted-benzyl-N'-tert-buty...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)16-8-4-14(5-9-16)12-21-18(26)22-13-15-6-10-17(11-7-15)23-27(20,24)25/h4-11,23H,12-13H2,1-3H3,(H2,20,24,25)(H2,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170258
(CHEMBL187735 | N-(4-{2-[3-(4-tert-Butyl-benzyl)-th...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCCc2ccc(NS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C21H29N3O2S2/c1-21(2,3)18-9-5-17(6-10-18)15-23-20(27)22-14-13-16-7-11-19(12-8-16)24-28(4,25)26/h5-12,24H,13-15H2,1-4H3,(H2,22,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 699 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170267
(CHEMBL188024 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(O)c2)cc1 Show InChI InChI=1S/C20H27N3O3S2/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(27)22-13-15-7-10-17(18(24)11-15)23-28(4,25)26/h5-11,23-24H,12-13H2,1-4H3,(H2,21,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170257
(1-(4-tert-Butyl-benzyl)-3-(3-methanesulfonyl-benzy...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2cccc(c2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H26N2O2S2/c1-20(2,3)17-10-8-15(9-11-17)13-21-19(25)22-14-16-6-5-7-18(12-16)26(4,23)24/h5-12H,13-14H2,1-4H3,(H2,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170264
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170263
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20284
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170254
(1-(4-tert-Butyl-benzyl)-3-(3-methanesulfinyl-benzy...)Show SMILES CS(=O)c1cccc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)c1 Show InChI InChI=1S/C20H26N2OS2/c1-20(2,3)17-10-8-15(9-11-17)13-21-19(24)22-14-16-6-5-7-18(12-16)25(4)23/h5-12H,13-14H2,1-4H3,(H2,21,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170265
(CHEMBL191024 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)Oc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C23H33N3O3S2/c1-16(2)29-21-13-18(9-12-20(21)26-31(6,27)28)15-25-22(30)24-14-17-7-10-19(11-8-17)23(3,4)5/h7-13,16,26H,14-15H2,1-6H3,(H2,24,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170258
(CHEMBL187735 | N-(4-{2-[3-(4-tert-Butyl-benzyl)-th...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCCc2ccc(NS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C21H29N3O2S2/c1-21(2,3)18-9-5-17(6-10-18)15-23-20(27)22-14-13-16-7-11-19(12-8-16)24-28(4,25)26/h5-12,24H,13-15H2,1-4H3,(H2,22,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170252
(CHEMBL425180 | N-{5-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)nc2)cc1 Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)16-8-5-14(6-9-16)11-21-18(26)22-13-15-7-10-17(20-12-15)23-27(4,24)25/h5-10,12H,11,13H2,1-4H3,(H,20,23)(H2,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170260
(CHEMBL187838 | N-{6-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cn2)cc1 Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)15-7-5-14(6-8-15)11-21-18(26)22-12-16-9-10-17(13-20-16)23-27(4,24)25/h5-10,13,23H,11-12H2,1-4H3,(H2,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170268
(2-Amino-ethanesulfonic acid {4-[3-(4-tert-butyl-be...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(=O)(=O)CCN)cc2)cc1 Show InChI InChI=1S/C21H30N4O2S2/c1-21(2,3)18-8-4-16(5-9-18)14-23-20(28)24-15-17-6-10-19(11-7-17)25-29(26,27)13-12-22/h4-11,25H,12-15,22H2,1-3H3,(H2,23,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170259
(CHEMBL189507 | N-{3-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2cccc(NS(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-10-8-15(9-11-17)13-21-19(26)22-14-16-6-5-7-18(12-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170261
(CHEMBL188264 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C21H29N3O2S2/c1-21(2,3)19-11-9-17(10-12-19)14-23-20(27)22-13-16-5-7-18(8-6-16)15-24-28(4,25)26/h5-12,24H,13-15H2,1-4H3,(H2,22,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170250
(CHEMBL189640 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)Nc2ccc(NS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C19H25N3O2S2/c1-19(2,3)15-7-5-14(6-8-15)13-20-18(25)21-16-9-11-17(12-10-16)22-26(4,23)24/h5-12,22H,13H2,1-4H3,(H2,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170265
(CHEMBL191024 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)Oc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C23H33N3O3S2/c1-16(2)29-21-13-18(9-12-20(21)26-31(6,27)28)15-25-22(30)24-14-17-7-10-19(11-8-17)23(3,4)5/h7-13,16,26H,14-15H2,1-6H3,(H2,24,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170250
(CHEMBL189640 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)Nc2ccc(NS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C19H25N3O2S2/c1-19(2,3)15-7-5-14(6-8-15)13-20-18(25)21-16-9-11-17(12-10-16)22-26(4,23)24/h5-12,22H,13H2,1-4H3,(H2,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50170260
(CHEMBL187838 | N-{6-[3-(4-tert-Butyl-benzyl)-thiou...)Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cn2)cc1 Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)15-7-5-14(6-8-15)11-21-18(26)22-12-16-9-10-17(13-20-16)23-27(4,24)25/h5-10,13,23H,11-12H2,1-4H3,(H2,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX |
Bioorg Med Chem Lett 15: 4136-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0 |
More data for this
Ligand-Target Pair | |
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