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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 = 'BDBM50078351'   
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))
BDBM50078351
PNG
(CHEMBL3414703)
Show SMILES COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7|
Show InChI InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Eurofarma Laboratorios S.A.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA


J Med Chem 58: 2678-702 (2015)


Article DOI: 10.1021/jm501833t
BindingDB Entry DOI: 10.7270/Q2W37Z1D
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50078351
PNG
(CHEMBL3414703)
Show SMILES COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7|
Show InChI InChI=1S/C13H16F2N2OS/c1-13(10-4-3-9(14)5-11(10)15)8(6-18-2)7-19-12(16)17-13/h3-5,8H,6-7H2,1-2H3,(H2,16,17)/t8-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Eurofarma Laboratorios S.A.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...


J Med Chem 58: 2678-702 (2015)


Article DOI: 10.1021/jm501833t
BindingDB Entry DOI: 10.7270/Q2W37Z1D
More data for this
Ligand-Target Pair