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BDBM50330756 CHEMBL1277589::Mesuagenin C

SMILES: [#6]-[#6](-[#6])-[#6](=O)-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(cc(=O)oc12)-c1ccccc1

InChI Key: InChIKey=UUCAKUXYHNRXRO-XMHGGMMESA-N

Data: 1 IC50

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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 = 50330756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50330756
PNG
(CHEMBL1277589 | Mesuagenin C)
Show SMILES CC(C)C(=O)c1c(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-17(2)10-9-11-19(5)14-15-21-27(32)24-22(20-12-7-6-8-13-20)16-23(30)34-29(24)25(28(21)33)26(31)18(3)4/h6-8,10,12-14,16,18,32-33H,9,11,15H2,1-5H3/b19-14+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 120 secs by Ellman spectroscopic method


Bioorg Med Chem 18: 7873-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.044
BindingDB Entry DOI: 10.7270/Q2B27VH4
More data for this
Ligand-Target Pair