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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM50163999'   
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))
BDBM50163999
PNG
(4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 2.70E+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))
BDBM50163999
PNG
(4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 3.70E+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