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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 = 'BDBM50315016'   
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))
BDBM50315016
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES CCCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Show InChI InChI=1S/C27H28N4O/c1-2-3-18-29-27(32)22-14-12-21(13-15-22)25-17-16-24(20-8-5-4-6-9-20)31(25)19-23-10-7-11-26(28)30-23/h4-17H,2-3,18-19H2,1H3,(H2,28,30)(H,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/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