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BDBM50082237 (E)-4-Benzyl-5-[2-(4-hydroxy-3-methoxy-phenyl)-acetylamino]-pent-2-enoic acid methyl ester::CHEMBL317352

SMILES: COC(=O)\C=C\C(CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1

InChI Key: InChIKey=NJUQNXVTRIPTAZ-PKNBQFBNSA-N

Data: 1 KI

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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 1 hit for monomerid = 50082237   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082237
PNG
((E)-4-Benzyl-5-[2-(4-hydroxy-3-methoxy-phenyl)-ace...)
Show SMILES COC(=O)\C=C\C(CNC(=O)Cc1ccc(O)c(OC)c1)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c1-27-20-13-17(8-10-19(20)24)14-21(25)23-15-18(9-11-22(26)28-2)12-16-6-4-3-5-7-16/h3-11,13,18,24H,12,14-15H2,1-2H3,(H,23,25)/b11-9+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.35E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair