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BDBM50029209 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester::(E)-methyl 3-(3,4-dihydroxyphenyl)acrylate::3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester::CHEMBL17001::METHYLCAFFEATE::Methyl 1-(3',4'-dihydroxyphenyl)propenate::Methyl caffeate::methyl 3-(3,4-dihydroxyphenyl)acrylate

SMILES: COC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key: InChIKey=OCNYGKNIVPVPPX-HWKANZROSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50029209   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029209
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...)
Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
PDB
MMDB

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CHEMBL
KEGG
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PC sid
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 integrase.


Citation and Details
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50029209
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...)
Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
PDB
MMDB

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CHEMBL
KEGG
PC cid
PC sid
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


Citation and Details
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50029209
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...)
Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
PDB

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KEGG
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Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...


Eur J Med Chem 90: 351-9 (2015)

More data for this
Ligand-Target Pair
TTR


(Homo sapiens (Human))
BDBM50029209
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...)
Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
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Article
PubMed
n/an/an/an/a 6.70E+4n/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)

More data for this
Ligand-Target Pair