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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 = 'BDBM101032'   
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))
BDBM101032
PNG
(US8507479, 689)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O |r,t:22|
Show InChI InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/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))
BDBM101032
PNG
(US8507479, 689)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O |r,t:22|
Show InChI InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/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