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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 = 'BDBM101024'   
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))
BDBM101024
PNG
(US8507479, 660)
Show SMILES C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ncccc2F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14F4N4OS/c1-16(17(20,21)8-27-15(22)25-16)10-7-9(4-5-11(10)18)24-14(26)13-12(19)3-2-6-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/an/an/an/a7.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human BACE-1.


US Patent US8541408 (2013)


BindingDB Entry DOI: 10.7270/Q2KK99D8
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM101024
PNG
(US8507479, 660)
Show SMILES C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ncccc2F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14F4N4OS/c1-16(17(20,21)8-27-15(22)25-16)10-7-9(4-5-11(10)18)24-14(26)13-12(19)3-2-6-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Beta-Secretase inhibition assay.


US Patent US8507479 (2013)


BindingDB Entry DOI: 10.7270/Q2KS6Q6G
More data for this
Ligand-Target Pair