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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50131688'   
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)
BDBM50131688
PNG
((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium l...


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50131688
PNG
((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.60E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair