BDBM50029198 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl ester::(E)-benzyl 3-(3,4-dihydroxyphenyl)acrylate::3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl ester::CHEMBL133714::Phenylmethyl 1-(3',4'-dihydroxyphenyl)propenate::benzyl 3-(3,4-dihydroxyphenyl)acrylate::benzyl caffeate

SMILES: Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O

InChI Key: InChIKey=WWVKQTNONPWVEL-VQHVLOKHSA-N

Data: 5 IC50  1 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 = 50029198   

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)	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.00E+3	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
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...				Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe...				Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.91E+3	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
Transthyretin (Homo sapiens (Human))	BDBM50029198 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...) Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+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