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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 = 'BDBM50358937'   
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))
BDBM50358937
PNG
(CHEMBL1923706)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-10-6-7-15-29(20)23)16-11-13-17(14-12-16)22-25-18-8-4-5-9-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.51E+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))
BDBM50358937
PNG
(CHEMBL1923706)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-10-6-7-15-29(20)23)16-11-13-17(14-12-16)22-25-18-8-4-5-9-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.68E+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