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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM50163996'   
Target
(Institution)
LigandTarget
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 amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

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PubMed
n/an/an/an/a 1.03E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of amyloid precursor protein 695 activity in CHO cells expressing human APP


Bioorg Med Chem Lett 15: 1891-4 (2005)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

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Article
PubMed
n/an/an/an/a 530n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro reduction of Swedish NL mutant amyloid precursor protein activity expressed in CHO cells


Bioorg Med Chem Lett 15: 1891-4 (2005)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

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PubMed
n/an/an/an/a 640n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro elevation of beta C-terminal fragment (Ct-99) in CHO cells expressing mutant Swedish NL human APP


Bioorg Med Chem Lett 15: 1891-4 (2005)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

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PubMed
n/an/an/an/a 3.50E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 42 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)

More data for this
Ligand-Target Pair