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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 = 'BDBM223349'   
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))
BDBM223349
PNG
(US9315520, 36 | US9605007, Example 36 | US9744173,...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(=O)n(C)c2)cs1
Show InChI InChI=1S/C18H21N5O3S2/c1-10-5-12-7-28-17(19)22-18(12,9-26-10)16-21-13(8-27-16)20-15(25)11-3-4-14(24)23(2)6-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,19,22)(H,20,25)/t10-,12-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.41E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...


US Patent US9744173 (2017)


Article DOI: 10.1073/pnas.0504952102
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM223349
PNG
(US9315520, 36 | US9605007, Example 36 | US9744173,...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(=O)n(C)c2)cs1
Show InChI InChI=1S/C18H21N5O3S2/c1-10-5-12-7-28-17(19)22-18(12,9-26-10)16-21-13(8-27-16)20-15(25)11-3-4-14(24)23(2)6-11/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H2,19,22)(H,20,25)/t10-,12-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.41E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...


US Patent US9605007 (2017)


Article DOI: 10.1021/jm0493212
More data for this
Ligand-Target Pair