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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50220312   
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))
BDBM50220312
PNG
(2-(4-(2-chlorophenyl)-2-(4-propoxyphenyl)thiophen-...)
Show SMILES CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1Cl
Show InChI InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)21-17(12-20(27)26-22(24)25)18(13-29-21)16-5-3-4-6-19(16)23/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 630n/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