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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 = 'BDBM50052701'   
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 amyloid A4 protein


(Homo sapiens (Human))
BDBM50052701
PNG
(2-(4-Aminophenyl)-6-methoxybenzothiazole | 4-(6-Me...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50052701
PNG
(2-(4-Aminophenyl)-6-methoxybenzothiazole | 4-(6-Me...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
30n/an/an/an/an/an/an/an/a



The University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...


US Patent US10137210 (2018)

More data for this
Ligand-Target Pair