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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50427055'   
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 2


(Homo sapiens (Human))
BDBM50427055
PNG
(CHEMBL2322536)
Show SMILES C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.94E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50427055
PNG
(CHEMBL2322536)
Show SMILES C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O/c1-16(23(27)26-15-18-9-7-17(14-25)8-10-18)20-11-12-21(22(24)13-20)19-5-3-2-4-6-19/h2-13,16H,14-15,25H2,1H3,(H,26,27)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.07E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair