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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50318455'   
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 A member 1


(Homo sapiens (Human))
BDBM50318455
PNG
(AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...)
Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)
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PC cid
PC sid
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 channel assessed as inhibition of noxious cold-induced receptor activation


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318455
PNG
(AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...)
Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 channel assessed as inhibition of allyl isothiocyanate-induced intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318455
PNG
(AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...)
Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 channel assessed as inhibition of allyl isothiocyanate-induced currents


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50318455
PNG
(AMG-9090 | CHEMBL1086371 | N-(2,2,2-trichloro-1-(4...)
Show SMILES Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C15H11Cl4NOS/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21)10-4-2-1-3-5-10/h1-9,14H,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 66n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 channel in rat DRG neurons assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair