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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50358934'   
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))
BDBM50358934
PNG
(CHEMBL1923703)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.73E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358934
PNG
(CHEMBL1923703)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.79E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair