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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 = 'BDBM50390467'   
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))
BDBM50390467
PNG
(CHEMBL2071510)
Show SMILES CC(C)C(NC(=O)c1c(C)noc1-c1ccccc1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N3O3/c1-14(2)20(21(27)17-11-9-16(13-24)10-12-17)25-23(28)19-15(3)26-29-22(19)18-7-5-4-6-8-18/h4-12,14,20H,1-3H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay


Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50390467
PNG
(CHEMBL2071510)
Show SMILES CC(C)C(NC(=O)c1c(C)noc1-c1ccccc1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N3O3/c1-14(2)20(21(27)17-11-9-16(13-24)10-12-17)25-23(28)19-15(3)26-29-22(19)18-7-5-4-6-8-18/h4-12,14,20H,1-3H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay


Bioorg Med Chem Lett 22: 5485-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.032
BindingDB Entry DOI: 10.7270/Q2RR20B8
More data for this
Ligand-Target Pair