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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:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50073628   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073628
PNG
((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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/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
PNG
((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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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
PNG
((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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/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