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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50569352'   
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))
BDBM50569352
PNG
(CHEMBL4868952)
Show SMILES C[C@]1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:12|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing APP assessed as reduction in Abeta40 by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113270
BindingDB Entry DOI: 10.7270/Q21R6V8Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50569352
PNG
(CHEMBL4868952)
Show SMILES C[C@]1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:12|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BACE1 (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113270
BindingDB Entry DOI: 10.7270/Q21R6V8Q
More data for this
Ligand-Target Pair