BDBM50073628 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-ethyl ester::CHEMBL286477

SMILES: Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O

InChI Key: InChIKey=LTACDIIPISHXNX-FCXRPNKRSA-N

Data: 3 IC50

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 3 hits for monomerid = 50073628   

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)	BDBM50073628 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50073628 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.				J Med Chem 42: 497-509 (1999) Article DOI: 10.1021/jm9804735 BindingDB Entry DOI: 10.7270/Q2G161J5
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50073628 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 2-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C20H18O8/c21-15-5-1-13(11-17(15)23)3-7-19(25)27-9-10-28-20(26)8-4-14-2-6-16(22)18(24)12-14/h1-8,11-12,21-24H,9-10H2/b7-3+,8-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration				J Med Chem 42: 1401-14 (1999) Article DOI: 10.1021/jm980531m BindingDB Entry DOI: 10.7270/Q2RJ4HPN
					More data for this Ligand-Target Pair