BDBM50073636 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-propyl ester::CHEMBL31026

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

InChI Key: InChIKey=QUBPJJHCAOTXEB-KBXRYBNXSA-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 = 50073636   

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)	BDBM50073636 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50073636 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+	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)	BDBM50073636 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C21H20O8/c22-16-6-2-14(12-18(16)24)4-8-20(26)28-10-1-11-29-21(27)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13,22-25H,1,10-11H2/b8-4+,9-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+4	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