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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50087435'   
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)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+3n/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)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 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)
BDBM50087435
PNG
((E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carbo...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Show InChI InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 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