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BDBM50394654 CHEMBL188181

SMILES: COc1cc(OC)cc(\C=C\c2ccccc2)c1

InChI Key: InChIKey=BIYGTLDPTJMNET-CMDGGOBGSA-N

Data: 3 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50394654   
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 V member 1


(Homo sapiens (Human))
BDBM50394654
PNG
(CHEMBL188181)
Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase of intracellular calcium level


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50394654
PNG
(CHEMBL188181)
Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus C2888 AChE using acetylthiocholine iodide as substrate by Ellman's spectroscopic method


J Nat Prod 75: 2012-2015 (2012)


Article DOI: 10.1021/np300660y
BindingDB Entry DOI: 10.7270/Q2959JNP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50394654
PNG
(CHEMBL188181)
Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
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PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50394654
PNG
(CHEMBL188181)
Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium l...


Bioorg Med Chem Lett 26: 899-902 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.065
BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair