BindingDB logo
myBDB logout

BDBM50512063 CHEMBL4516367

SMILES: OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1

InChI Key: InChIKey=INBHLTYBRKASIZ-JXMROGBWSA-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 = 50512063   
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))
BDBM50512063
PNG
(CHEMBL4516367)
Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98E+4n/an/an/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of CA-induced increase in calcium influx incubated for 10 mins pr...


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50512063
PNG
(CHEMBL4516367)
Show SMILES OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of CA-induced increase in calcium influx incubated for 10 mins pr...


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair