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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 = 'BDBM50299241'   
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))
BDBM50299241
PNG
(3-(5-(4-Fluorophenyl)-1H-imidazol-2-yl)-5H dibenzo...)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)n1
Show InChI InChI=1S/C23H16FN5O2/c24-15-8-5-13(6-9-15)20-12-25-23(28-20)29-21(30)14-7-10-16-19(11-14)26-17-3-1-2-4-18(17)27-22(16)31/h1-12,26H,(H,27,31)(H2,25,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
293n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


J Med Chem 52: 6484-8 (2009)


Article DOI: 10.1021/jm9008482
BindingDB Entry DOI: 10.7270/Q2765FC2
More data for this
Ligand-Target Pair