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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50087419'   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Silesia

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 19: 5000-5 (2011)


Article DOI: 10.1016/j.bmc.2011.06.054
BindingDB Entry DOI: 10.7270/Q2SN0CTM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Silesia

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase 3'-processing and strand transfer activity using 21-mer U5B/U5A duplex oligonucleotides after 1 hr


Bioorg Med Chem 19: 5000-5 (2011)


Article DOI: 10.1016/j.bmc.2011.06.054
BindingDB Entry DOI: 10.7270/Q2SN0CTM
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 708n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity


Eur J Med Chem 43: 81-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.02.021
BindingDB Entry DOI: 10.7270/Q24170XZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50087419
PNG
((E)-2-(3,4-dihydroxy-5-methoxystyryl)-8-hydroxyqui...)
Show SMILES COc1cc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H15NO6/c1-26-15-9-10(8-14(21)18(15)23)2-5-12-6-3-11-4-7-13(19(24)25)17(22)16(11)20-12/h2-9,21-23H,1H3,(H,24,25)/b5-2+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair