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3 similar compounds to monomer 50163999

Wt: 407.9
BDBM28961
Wt: 417.5
BDBM50163998
Wt: 387.4
BDBM50164001

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 28961,50163998,50164001   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-Secretase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM28961
PNG
(CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.22E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)

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


(Homo sapiens (human))
BDBM28961
PNG
(CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/an/an/a 2.09E+4n/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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50164001
PNG
(4-Benzenesulfonyl-4-o-tolyl-piperidine-1-carboxyli...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-3-26-20(23)22-15-13-21(14-16-22,19-12-8-7-9-17(19)2)27(24,25)18-10-5-4-6-11-18/h4-12H,3,13-16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.86E+4n/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))
BDBM28961
PNG
(CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.22E+4n/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))
BDBM50163998
PNG
(4-(4-Methoxy-benzenesulfonyl)-4-o-tolyl-piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H27NO5S/c1-4-28-21(24)23-15-13-22(14-16-23,20-8-6-5-7-17(20)2)29(25,26)19-11-9-18(27-3)10-12-19/h5-12H,4,13-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.45E+4n/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