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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 50133496   
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
Transthyretin


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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Article
PubMed
n/an/an/an/a 8.60E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay


J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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Article
PubMed
n/an/an/an/a 2.03E+4n/an/an/an/a



Muroran Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method


Eur J Med Chem 138: 1066-1075 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.026
BindingDB Entry DOI: 10.7270/Q23J3GG8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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Article
PubMed
n/an/an/an/a 5.72E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug...


J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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Article
PubMed
n/an/an/an/a 6.81E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...


J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair