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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 = 'BDBM50243350'   
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))
BDBM50243350
PNG
(CHEMBL4088443)
Show SMILES Clc1cc(Cl)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C14H10Cl2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Hyogo University of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced calcium influx preincubated for 6 mins followed by AITC addi...


Bioorg Med Chem Lett 27: 3167-3172 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.025
BindingDB Entry DOI: 10.7270/Q2TH8Q4R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50243350
PNG
(CHEMBL4088443)
Show SMILES Clc1cc(Cl)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C14H10Cl2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Hyogo University of Health Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as induction of calcium influx at 30 uM after 6 mins by Fluo-4 dye-based assay


Bioorg Med Chem Lett 27: 3167-3172 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.025
BindingDB Entry DOI: 10.7270/Q2TH8Q4R
More data for this
Ligand-Target Pair