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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50570460'   
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 2


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.09E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-JNJ962 from BACE2 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01858
BindingDB Entry DOI: 10.7270/Q2GH9NQT
More data for this
Ligand-Target Pair
Beta-secretase 2


(Mus musculus (Mouse))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BACE2 in mouse MIN6 cells expressing wild type TMEM27 assessed as reduction in TMEM27 secretion by MSD electrochemiluminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01858
BindingDB Entry DOI: 10.7270/Q2GH9NQT
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01858
BindingDB Entry DOI: 10.7270/Q2GH9NQT
More data for this
Ligand-Target Pair