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Compile Data Set for Download or QSAR

Found 4 hits of non-affinity data for polymerid = 1671,1712,4009,50006601,50007155,5093   
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))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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Article
PubMed
n/an/an/an/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1116-23 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Secretase (BACE-1)


(Homo sapiens (human))
BDBM29751
PNG
(macrocyclic peptidomimetic, 3e)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C24H45N3O4/c1-4-5-16-25-23(30)18(2)17-21(28)20-14-12-10-8-6-7-9-11-13-15-22(29)26-19(3)24(31)27-20/h18-21,28H,4-17H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,20+,21+/m1/s1
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Article
PubMed
n/an/an/an/an/an/an/a4.522



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM15788
PNG
(4-[(4-fluorophenyl)methyl]piperidine | CHEMBL12043...)
Show SMILES Fc1ccc(CC2CCNCC2)cc1
Show InChI InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
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PubMed
n/an/an/an/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1116-23 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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PDB
Article
PubMed
n/an/an/an/an/an/an/a5.022



Astex



Assay Description
Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...


J Med Chem 50: 1116-23 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)