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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 = 'BDBM50356534'   
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))
BDBM50356534
PNG
(CHEMBL1909695)
Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C29H24Cl2N2O2/c30-25-15-14-21(16-26(25)31)29(35)32(17-20-8-2-1-3-9-20)18-22(34)19-33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h1-16,22,34H,17-19H2
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