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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 = 'BDBM50333947'   
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))
BDBM50333947
PNG
((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...)
Show SMILES CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C34H42N4O7S/c1-21(2)28(34(42)35-3)18-30(39)29-20-45-19-22-10-9-13-24(14-22)31(23-11-7-6-8-12-23)37-33(41)26-15-25(32(40)36-29)16-27(17-26)38(4)46(5,43)44/h6-17,21,28-31,39H,18-20H2,1-5H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,31?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 21: 358-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.140
BindingDB Entry DOI: 10.7270/Q2HM58RJ
More data for this
Ligand-Target Pair