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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 = 'BDBM50363883'   
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)
BDBM50363883
PNG
(CHEMBL1946120)
Show SMILES Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H15F4N5O3S/c1-27-14-5-6-29(16(14)17(31)28(2)19(27)32)8-15(30)26-18-25-13(9-33-18)10-3-4-12(21)11(7-10)20(22,23)24/h3-7,9H,8H2,1-2H3,(H,25,26,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat TRPA1 expressed in rat DRG neurons assessed as inhibition of acrolein-induced calcium influx after 40 mins ...


Bioorg Med Chem 20: 1690-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.020
BindingDB Entry DOI: 10.7270/Q2NV9JQK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50363883
PNG
(CHEMBL1946120)
Show SMILES Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H15F4N5O3S/c1-27-14-5-6-29(16(14)17(31)28(2)19(27)32)8-15(30)26-18-25-13(9-33-18)10-3-4-12(21)11(7-10)20(22,23)24/h3-7,9H,8H2,1-2H3,(H,25,26,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in human IMR90 cells assessed as inhibition of acrolein-induced calcium influx after 40 mins by fluoresc...


Bioorg Med Chem 20: 1690-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.020
BindingDB Entry DOI: 10.7270/Q2NV9JQK
More data for this
Ligand-Target Pair