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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 = 'BDBM50362759'   
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)
BDBM50362759
PNG
(CHEMBL1939974)
Show SMILES COc1cccc(C2NC(=S)N=C3C2C(=O)c2ccccc32)c1OC |c:11|
Show InChI InChI=1S/C19H16N2O3S/c1-23-13-9-5-8-12(18(13)24-2)16-14-15(20-19(25)21-16)10-6-3-4-7-11(10)17(14)22/h3-9,14,16H,1-2H3,(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+3n/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))
BDBM50362759
PNG
(CHEMBL1939974)
Show SMILES COc1cccc(C2NC(=S)N=C3C2C(=O)c2ccccc32)c1OC |c:11|
Show InChI InChI=1S/C19H16N2O3S/c1-23-13-9-5-8-12(18(13)24-2)16-14-15(20-19(25)21-16)10-6-3-4-7-11(10)17(14)22/h3-9,14,16H,1-2H3,(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/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