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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50170911'   
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)
BDBM50170911
PNG
(CHEMBL3805358)
Show SMILES ON1C(=O)C(C(=O)NC2CC2)c2ccccc2C1=O
Show InChI InChI=1S/C13H12N2O4/c16-11(14-7-5-6-7)10-8-3-1-2-4-9(8)12(17)15(19)13(10)18/h1-4,7,10,19H,5-6H2,(H,14,16)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.13E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA


Eur J Med Chem 117: 256-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.083
BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50170911
PNG
(CHEMBL3805358)
Show SMILES ON1C(=O)C(C(=O)NC2CC2)c2ccccc2C1=O
Show InChI InChI=1S/C13H12N2O4/c16-11(14-7-5-6-7)10-8-3-1-2-4-9(8)12(17)15(19)13(10)18/h1-4,7,10,19H,5-6H2,(H,14,16)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using 5'[digoxigenin]-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCA-3' as substrate incubated for 1 hr by E...


Eur J Med Chem 117: 256-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.083
BindingDB Entry DOI: 10.7270/Q22V2J1P
More data for this
Ligand-Target Pair