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BDBM50279818 14-(octyylaminocarbonyloxy)-9-methoxy-4-methyl-(1S,12S,14R)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene::CHEMBL155244

SMILES: CCCCCCCCNC(=O)O[C@@H]1C[C@@H]2Oc3c4c(CN(C)CC[C@@]24C=C1)ccc3OC

InChI Key: InChIKey=PEYTZFQXZOBUFQ-YBXDKENTSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50279818   
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


(Rattus norvegicus (rat))
BDBM50279818
PNG
(14-(octyylaminocarbonyloxy)-9-methoxy-4-methyl-(1S...)
Show SMILES CCCCCCCCNC(=O)O[C@@H]1C[C@@H]2Oc3c4c(CN(C)CC[C@@]24C=C1)ccc3OC
Show InChI InChI=1S/C26H38N2O4/c1-4-5-6-7-8-9-15-27-25(29)31-20-12-13-26-14-16-28(2)18-19-10-11-21(30-3)24(23(19)26)32-22(26)17-20/h10-13,20,22H,4-9,14-18H2,1-3H3,(H,27,29)/t20-,22-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 8.82E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase (AChE) in rat brain homogenates


Bioorg Med Chem Lett 1: 579-580 (1991)


Article DOI: 10.1016/S0960-894X(01)81154-9
BindingDB Entry DOI: 10.7270/Q2XG9R27
More data for this
Ligand-Target Pair