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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 = 'BDBM50070942'   
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))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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MMDB

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KEGG
MMDB
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1221-30 (2015)

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


(Homo sapiens (human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



CSIRO Manufacturing Flagship (Biomedical)

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence met...


Bioorg Med Chem Lett 24: 3108-12 (2014)

More data for this
Ligand-Target Pair