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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50076266'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50076266
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C29H28O12/c1-18(30)38-24-10-6-22(16-26(24)40-20(3)32)8-12-28(34)36-14-5-15-37-29(35)13-9-23-7-11-25(39-19(2)31)27(17-23)41-21(4)33/h6-13,16-17H,5,14-15H2,1-4H3/b12-8+,13-9+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

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)
BDBM50076266
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C29H28O12/c1-18(30)38-24-10-6-22(16-26(24)40-20(3)32)8-12-28(34)36-14-5-15-37-29(35)13-9-23-7-11-25(39-19(2)31)27(17-23)41-21(4)33/h6-13,16-17H,5,14-15H2,1-4H3/b12-8+,13-9+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

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