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)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50188650
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50188650
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20334
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20334
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20334
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50212311
(4-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212311
(4-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20510
((2E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-ben...)Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212314
((R)-6-tert-butyl-2-(2-methyl-4-(3-(trifluoromethyl...)Show SMILES C[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5/c1-14-13-29(19-16(22(23,24)25)6-5-9-26-19)10-11-30(14)20-27-17-8-7-15(21(2,3)4)12-18(17)28-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,27,28)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by aequorin based assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212312
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1 Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | 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
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212311
(4-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29) | PDB
MMDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | 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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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212315
((R)-6-tert-butyl-2-(2-methyl-4-(3-methylpyridin-2-...)Show SMILES C[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1C Show InChI InChI=1S/C22H29N5/c1-15-7-6-10-23-20(15)26-11-12-27(16(2)14-26)21-24-18-9-8-17(22(3,4)5)13-19(18)25-21/h6-10,13,16H,11-12,14H2,1-5H3,(H,24,25)/t16-/m1/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20510
((2E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-ben...)Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+ | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212313
((R)-6-tert-butyl-2-(4-(3-chloropyridin-2-yl)-2-met...)Show SMILES C[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1Cl Show InChI InChI=1S/C21H26ClN5/c1-14-13-26(19-16(22)6-5-9-23-19)10-11-27(14)20-24-17-8-7-15(21(2,3)4)12-18(17)25-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,24,25)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20510
((2E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-ben...)Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+ | PDB
MMDB
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50212311
(4-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29) | PDB
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| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50155159
((R)-4-(6-Chloro-4-methyl-pyridazin-3-yl)-2-methyl-...)Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1nc2ccc(F)cc2s1)c1nnc(Cl)cc1C Show InChI InChI=1S/C18H18ClFN6OS/c1-10-7-15(19)23-24-16(10)25-5-6-26(11(2)9-25)18(27)22-17-21-13-4-3-12(20)8-14(13)28-17/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,21,22,27)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212313
((R)-6-tert-butyl-2-(4-(3-chloropyridin-2-yl)-2-met...)Show SMILES C[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1Cl Show InChI InChI=1S/C21H26ClN5/c1-14-13-26(19-16(22)6-5-9-23-19)10-11-27(14)20-24-17-8-7-15(21(2,3)4)12-18(17)25-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,24,25)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
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UniChem
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PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50212312
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1 Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
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
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Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by aequorin based assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50155159
((R)-4-(6-Chloro-4-methyl-pyridazin-3-yl)-2-methyl-...)Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1nc2ccc(F)cc2s1)c1nnc(Cl)cc1C Show InChI InChI=1S/C18H18ClFN6OS/c1-10-7-15(19)23-24-16(10)25-5-6-26(11(2)9-25)18(27)22-17-21-13-4-3-12(20)8-14(13)28-17/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,21,22,27)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM20510
((2E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-ben...)Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+ | PDB
MMDB
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KEGG
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| n/a | n/a | 294 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | 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
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Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by aequorin based assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212315
((R)-6-tert-butyl-2-(2-methyl-4-(3-methylpyridin-2-...)Show SMILES C[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1C Show InChI InChI=1S/C22H29N5/c1-15-7-6-10-23-20(15)26-11-12-27(16(2)14-26)21-24-18-9-8-17(22(3,4)5)13-19(18)25-21/h6-10,13,16H,11-12,14H2,1-5H3,(H,24,25)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 597 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
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
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Article
PubMed
| n/a | n/a | 887 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50212314
((R)-6-tert-butyl-2-(2-methyl-4-(3-(trifluoromethyl...)Show SMILES C[C@@H]1CN(CCN1c1nc2ccc(cc2[nH]1)C(C)(C)C)c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5/c1-14-13-29(19-16(22(23,24)25)6-5-9-26-19)10-11-30(14)20-27-17-8-7-15(21(2,3)4)12-18(17)28-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,27,28)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
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
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by aequorin based assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay |
J Med Chem 50: 2589-96 (2007)
Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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