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BDBM50140157 TRIACETYLRESVERATROL

SMILES: CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1

InChI Key: InChIKey=PDAYUJSOJIMKIS-SNAWJCMRSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50140157   
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))
BDBM50140157
PNG
(TRIACETYLRESVERATROL)
Show SMILES CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
Show InChI InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
PDB
MMDB

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



Sapienza Universit£ di Roma

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)


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


(Rattus norvegicus)
BDBM50140157
PNG
(TRIACETYLRESVERATROL)
Show SMILES CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
Show InChI InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 7.50E+3n/an/an/an/a



Sapienza Universit£ di Roma

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)


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


(Rattus norvegicus)
BDBM50140157
PNG
(TRIACETYLRESVERATROL)
Show SMILES CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
Show InChI InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

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)


BindingDB Entry DOI: 10.7270/Q2765H6N
More data for this
Ligand-Target Pair