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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50362753'   
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


(Rattus norvegicus)
BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/an/an/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))
BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 128n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO cells assessed as inhibition of calcium influx


Bioorg Med Chem 20: 1690-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.020
BindingDB Entry DOI: 10.7270/Q2NV9JQK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 130n/an/an/an/an/an/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))
BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in human IMR90 cells assessed as inhibition of acrolein-induced calcium influx after 40 mins by fluoresc...


Bioorg Med Chem 20: 1690-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.020
BindingDB Entry DOI: 10.7270/Q2NV9JQK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat TRPA1 expressed in rat DRG neurons assessed as inhibition of acrolein-induced calcium influx after 40 mins ...


Bioorg Med Chem 20: 1690-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.020
BindingDB Entry DOI: 10.7270/Q2NV9JQK
More data for this
Ligand-Target Pair