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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 = 'BDBM50315014'   
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))
BDBM50315014
PNG
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/c27-25-8-4-7-22(28-25)17-30-23(18-5-2-1-3-6-18)15-16-24(30)19-9-11-20(12-10-19)26(31)29-21-13-14-21/h1-12,15-16,21H,13-14,17H2,(H2,27,28)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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