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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 = 'BDBM50356527'   
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))
BDBM50356527
PNG
(CHEMBL1909688)
Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C28H23N3O4/c32-23(19-30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30)18-29(28(33)20-8-2-1-3-9-20)21-14-16-22(17-15-21)31(34)35/h1-17,23,32H,18-19H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by fluorescence-based assay


Bioorg Med Chem Lett 21: 6657-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H
More data for this
Ligand-Target Pair