BDBM4375 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid::(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9)::3,4-Dihydroxycinnamate, XVII::CHEMBL145::Caffeic acid::Caffeic acid, 1::cid_689043

SMILES OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-N

Data  21 KI  56 IC50  2 EC50

PDB links: 14 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 4375   

TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataEC50:  2.16E+5nMAssay Description:Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataIC50:  1.56E+4nMAssay Description:Inhibition of amyloid beta (1 to 42) fibrillization (unknown origin) incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Muroran Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataIC50:  3.28E+4nMAssay Description:Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed