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BDBM50361392 CHEMBL1710181

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12

InChI Key: InChIKey=HJMDOAWWVCOEDW-UHFFFAOYSA-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 = 50361392   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50361392
PNG
(CHEMBL1710181)
Show SMILES CC(C)=CCOc1c2ccoc2c(OCC=C(C)C)c2oc(=O)ccc12
Show InChI InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay


Bioorg Med Chem 20: 784-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.002
BindingDB Entry DOI: 10.7270/Q2F47PKK
More data for this
Ligand-Target Pair