Found 8 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50362741' 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 A member 1
(Rattus norvegicus) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, Janssen Pharmaceutica N.V.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ... |
Bioorg Med Chem Lett 22: 797-800 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.068
BindingDB Entry DOI: 10.7270/Q2736RC4 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, Janssen Pharmaceutica N.V.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ... |
Bioorg Med Chem Lett 22: 797-800 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.068
BindingDB Entry DOI: 10.7270/Q2736RC4 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, Janssen Pharmaceutica N.V.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced... |
Bioorg Med Chem Lett 22: 797-800 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.068
BindingDB Entry DOI: 10.7270/Q2736RC4 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay |
Bioorg Med Chem Lett 24: 3464-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.069
BindingDB Entry DOI: 10.7270/Q21R6S43 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay |
Bioorg Med Chem Lett 24: 3464-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.069
BindingDB Entry DOI: 10.7270/Q21R6S43 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development, Janssen Pharmaceutica N.V.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced... |
Bioorg Med Chem Lett 22: 797-800 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.068
BindingDB Entry DOI: 10.7270/Q2736RC4 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TRPA1 by [45Ca2+] fluorimetry assay |
Bioorg Med Chem Lett 24: 3464-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.069
BindingDB Entry DOI: 10.7270/Q21R6S43 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Rattus norvegicus) | BDBM50362741
(CHEMBL1939826)Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat TRPA1 by [45Ca2+] fluorimetry assay |
Bioorg Med Chem Lett 24: 3464-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.069
BindingDB Entry DOI: 10.7270/Q21R6S43 |
More data for this
Ligand-Target Pair | |
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