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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 = 'BDBM50351929'   
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))
BDBM50351929
PNG
(CHEMBL1821820)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C |r|
Show InChI InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351929
PNG
(CHEMBL1821820)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C |r|
Show InChI InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP with Swedish mutation assessed as amyloidbeta 40 level by sandwich ELISA


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair