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BDBM50390471 CHEMBL2071504

SMILES: CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(cc1)C#N

InChI Key: InChIKey=PHNSUXWWTIXLNZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50390471   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50390471
PNG
(CHEMBL2071504)
Show SMILES CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11(2)17(18(24)13-5-3-12(10-22)4-6-13)23-19(25)15-8-7-14(20)9-16(15)21/h3-9,11,17H,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+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))
BDBM50390471
PNG
(CHEMBL2071504)
Show SMILES CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11(2)17(18(24)13-5-3-12(10-22)4-6-13)23-19(25)15-8-7-14(20)9-16(15)21/h3-9,11,17H,1-2H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.01E+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