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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50308720'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308720
PNG
(6,7-Furano-5-prenyloxy hydrocoumaric acid methyl e...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(19)20-3)14(18)10-15-13(17)7-9-21-15/h6-7,9-10,18H,4-5,8H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.13E+4n/an/an/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant BACE1 by Lineweaver-Burke plot analysis


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50308720
PNG
(6,7-Furano-5-prenyloxy hydrocoumaric acid methyl e...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C17H20O5/c1-11(2)6-8-22-17-12(4-5-16(19)20-3)14(18)10-15-13(17)7-9-21-15/h6-7,9-10,18H,4-5,8H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.03E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay


Bioorg Med Chem 18: 455-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.004
BindingDB Entry DOI: 10.7270/Q2K64J6S
More data for this
Ligand-Target Pair