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SMILES: CN(C)CCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21

InChI Key: InChIKey=XDJQQPBNBLIYAV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362766   
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


(Rattus norvegicus)
BDBM50362766
PNG
(CHEMBL1939830)
Show SMILES CN(C)CCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:18|
Show InChI InChI=1S/C22H23N3O2S/c1-25(2)11-6-12-27-15-8-5-7-14(13-15)19-18-20(24-22(28)23-19)16-9-3-4-10-17(16)21(18)26/h3-5,7-10,13,18-19H,6,11-12H2,1-2H3,(H,23,28)
PDB

KEGG

UniProtKB/SwissProt

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 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))
BDBM50362766
PNG
(CHEMBL1939830)
Show SMILES CN(C)CCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:18|
Show InChI InChI=1S/C22H23N3O2S/c1-25(2)11-6-12-27-15-8-5-7-14(13-15)19-18-20(24-22(28)23-19)16-9-3-4-10-17(16)21(18)26/h3-5,7-10,13,18-19H,6,11-12H2,1-2H3,(H,23,28)
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