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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 = 'BDBM50018962'   
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))
BDBM50018962
PNG
(CHEMBL3287409)
Show SMILES COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C
Show InChI InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.28E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of BACE1 (unknown origin) by Dixon plot analysis


Bioorg Med Chem Lett 24: 2945-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.060
BindingDB Entry DOI: 10.7270/Q2NV9KSW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50018962
PNG
(CHEMBL3287409)
Show SMILES COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C
Show InChI InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.24E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 24: 2945-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.060
BindingDB Entry DOI: 10.7270/Q2NV9KSW
More data for this
Ligand-Target Pair