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PubMed code 22381116

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM91655
PNG
(B53)
Show SMILES Oc1c(cnc2cc(ccc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C25H18F3N3O6S/c26-25(27,28)15-2-1-3-16(9-15)31-38(34,35)17-5-6-18-20(10-17)29-12-19(23(18)32)24(33)30-11-14-4-7-21-22(8-14)37-13-36-21/h1-10,12,31H,11,13H2,(H,29,32)(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Peking University Health Science Center



Assay Description
Beta-Secretase inhibition evaluations were carried out using a fluorescence resonance energy transfer (FRET) assay kit supplied by PanVera (kit P2985...


Chem Biol Drug Des 79: 972-80 (2012)


Article DOI: 10.1111/j.1747-0285.2012.01367.x
BindingDB Entry DOI: 10.7270/Q25719MR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM91654
PNG
(B51)
Show SMILES COc1ccc(cc1)-c1nc(SCC(=O)Nc2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N
Show InChI InChI=1S/C23H17N5O3S2/c1-31-16-9-7-15(8-10-16)20-17(11-24)21(30)28-23(27-20)33-13-19(29)26-22-25-18(12-32-22)14-5-3-2-4-6-14/h2-10,12H,13H2,1H3,(H,25,26,29)(H,27,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.76E+3n/an/an/an/an/an/a



Peking University Health Science Center



Assay Description
Beta-Secretase inhibition evaluations were carried out using a fluorescence resonance energy transfer (FRET) assay kit supplied by PanVera (kit P2985...


Chem Biol Drug Des 79: 972-80 (2012)


Article DOI: 10.1111/j.1747-0285.2012.01367.x
BindingDB Entry DOI: 10.7270/Q25719MR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%