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: 4 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50029209   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50029209 ((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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50029209 ((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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/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
Integrase (Human immunodeficiency virus 1)	BDBM50029209 ((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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase by ELISA				Bioorg Med Chem Lett 18: 6553-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.046 BindingDB Entry DOI: 10.7270/Q2KW5JT4
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50029209 ((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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Integrase (HIV-1-IN)				J Med Chem 45: 841-52 (2002) BindingDB Entry DOI: 10.7270/Q28W3FGV
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50029209 ((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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.77E+4	n/a	n/a	n/a	n/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
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2-heptyl-4(1H)-quinolone synthase PqsD (Pseudomonas aeruginosa)	BDBM50029209 ((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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair