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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 = 'BDBM50420681'   
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)
BDBM50420681
PNG
(CHEMBL2087052)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H27NO/c1-14(2)18-12-7-15(3)13-19(18)20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 uM allyl isothiocyanate-stimulated increase in intracellular Ca2+ leve...


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50420681
PNG
(CHEMBL2087052)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H27NO/c1-14(2)18-12-7-15(3)13-19(18)20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair