BDBM50029196 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl ester::(E)-ethyl 3-(3,4-dihydroxyphenyl)acrylate::3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl ester::CHEMBL17347::Ethyl 1-(3',4'-dihydroxyphenyl)propenate::Ethyl caffeate::ethyl 3-(3,4-dihydroxyphenyl)acrylate

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

InChI Key: InChIKey=WDKYDMULARNCIS-GQCTYLIASA-N

Data: 4 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

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 5 hits for monomerid = 50029196   

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)	BDBM50029196 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem 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))	BDBM50029196 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.30E+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				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50029196 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem 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)	BDBM50029196 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem 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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50029196 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid ethyl es...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase of rat basophilic leukemia (RBL) cell cytosolic enzymes				Bioorg Med Chem Lett 5: 35-38 (1995) Article DOI: 10.1016/0960-894X(94)00449-P BindingDB Entry DOI: 10.7270/Q2BP02QV
					More data for this Ligand-Target Pair