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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 = 'BDBM50021821'   
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))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluore...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair