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BDBM50073639 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-cyclohexyl ester::CHEMBL149178

SMILES: Oc1ccc(\C=C\C(=O)OC2CCCC(C2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O

InChI Key: InChIKey=HALOOJXOGWGVKR-JMQWPVDRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073639   
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)
BDBM50073639
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OC2CCCC(C2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6+,11-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/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