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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 = 'BDBM28961'   
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))
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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair