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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 = 'BDBM50314994'   
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))
BDBM50314994
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair