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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50220318   
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))
BDBM50220318
PNG
(2-(2-(4-(4-acetylphenoxy)phenyl)-4-(2-chlorophenyl...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2scc(c2CC(=O)NC(N)=N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C27H22ClN3O3S/c1-16(32)17-6-10-19(11-7-17)34-20-12-8-18(9-13-20)26-22(14-25(33)31-27(29)30)23(15-35-26)21-4-2-3-5-24(21)28/h2-13,15H,14H2,1H3,(H4,29,30,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 17: 5353-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.010
BindingDB Entry DOI: 10.7270/Q2WQ03GF
More data for this
Ligand-Target Pair