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PubMed code 29407994

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50458016
PNG
(CHEMBL4217978)
Show SMILES COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@@H](CO)[C@@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C35H30O13/c1-43-25-11-17(3-7-21(25)37)4-10-30(40)45-20-14-23(39)31-28(15-20)48-35(33(42)32(31)41)19-6-9-24-27(13-19)47-34(29(16-36)46-24)18-5-8-22(38)26(12-18)44-2/h3-15,29,33-39,42H,16H2,1-2H3/b10-4+/t29-,33-,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of tau (unknown origin) aggregation expressed in Escherichia coli (DE3) incubated for overnight by Th-S fluorescence staining based UV-Vis...


Eur J Med Chem 146: 93-107 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.036
BindingDB Entry DOI: 10.7270/Q28P635R
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50458015
PNG
(CHEMBL4207221)
Show SMILES COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@H](CO)[C@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C35H30O13/c1-43-25-11-17(3-7-21(25)37)4-10-30(40)45-20-14-23(39)31-28(15-20)48-35(33(42)32(31)41)19-6-9-24-27(13-19)47-34(29(16-36)46-24)18-5-8-22(38)26(12-18)44-2/h3-15,29,33-39,42H,16H2,1-2H3/b10-4+/t29-,33+,34-,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.72E+4n/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of tau (unknown origin) aggregation expressed in Escherichia coli (DE3) incubated for overnight by Th-S fluorescence staining based UV-Vis...


Eur J Med Chem 146: 93-107 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.036
BindingDB Entry DOI: 10.7270/Q28P635R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50458016
PNG
(CHEMBL4217978)
Show SMILES COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@@H](CO)[C@@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C35H30O13/c1-43-25-11-17(3-7-21(25)37)4-10-30(40)45-20-14-23(39)31-28(15-20)48-35(33(42)32(31)41)19-6-9-24-27(13-19)47-34(29(16-36)46-24)18-5-8-22(38)26(12-18)44-2/h3-15,29,33-39,42H,16H2,1-2H3/b10-4+/t29-,33-,34-,35+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.36E+4n/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 (unknown origin) expressed in Escherichia coli BL21 (DE3) aggregation incubated for overnight by Th-S fluorescence stai...


Eur J Med Chem 146: 93-107 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.036
BindingDB Entry DOI: 10.7270/Q28P635R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50458015
PNG
(CHEMBL4207221)
Show SMILES COc1cc(\C=C\C(=O)Oc2cc(O)c3C(=O)[C@H](O)[C@H](Oc3c2)c2ccc3O[C@H](CO)[C@H](Oc3c2)c2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C35H30O13/c1-43-25-11-17(3-7-21(25)37)4-10-30(40)45-20-14-23(39)31-28(15-20)48-35(33(42)32(31)41)19-6-9-24-27(13-19)47-34(29(16-36)46-24)18-5-8-22(38)26(12-18)44-2/h3-15,29,33-39,42H,16H2,1-2H3/b10-4+/t29-,33+,34-,35-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.55E+4n/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 (unknown origin) expressed in Escherichia coli BL21 (DE3) aggregation incubated for overnight by Th-S fluorescence stai...


Eur J Med Chem 146: 93-107 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.036
BindingDB Entry DOI: 10.7270/Q28P635R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%