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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50432186'   
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))
BDBM50432186
PNG
(CHEMBL2346789)
Show SMILES Cc1ccc2C(N[C@@H](Cc3ccccc3)C(O)=O)=NC(C)(C)Cc2c1
Show InChI InChI=1/C21H24N2O2/c1-14-9-10-17-16(11-14)13-21(2,3)23-19(17)22-18(20(24)25)12-15-7-5-4-6-8-15/h4-11,18H,12-13H2,1-3H3,(H,22,23)(H,24,25)/t18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.41E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair