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SMILES: CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)CCc3ccc(F)c(F)c3)cc2oc1=O

InChI Key: InChIKey=QTSCLJVLMGAFJO-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50371474   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50371474
PNG
(CHEMBL271710)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)CCc3ccc(F)c(F)c3)cc2oc1=O
Show InChI InChI=1S/C36H34F2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-21-29-14-15-30(22-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-16-32(37)33(38)20-25/h3-10,12-16,20-22H,2,11,17-19,23-24H2,1H3,(H,39,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 327n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman method


Bioorg Med Chem Lett 18: 423-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.100
BindingDB Entry DOI: 10.7270/Q2FN171X
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50371474
PNG
(CHEMBL271710)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)CCc3ccc(F)c(F)c3)cc2oc1=O
Show InChI InChI=1S/C36H34F2N2O4/c1-2-40(23-26-6-4-3-5-7-26)24-27-8-12-28(13-9-27)31-21-29-14-15-30(22-34(29)44-36(31)42)43-19-18-39-35(41)17-11-25-10-16-32(37)33(38)20-25/h3-10,12-16,20-22H,2,11,17-19,23-24H2,1H3,(H,39,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by spectrofluorimetric method


Bioorg Med Chem Lett 18: 423-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.100
BindingDB Entry DOI: 10.7270/Q2FN171X
More data for this
Ligand-Target Pair