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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50493934'   
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)
BDBM50493934
PNG
(CHEMBL2442281)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2c(ccc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C18H11ClO4/c19-13-4-6-15-11(8-13)2-1-10-7-12(3-5-14(10)15)16(20)9-17(21)18(22)23/h1-8H,9H2,(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem Lett 23: 6146-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.009
BindingDB Entry DOI: 10.7270/Q2PC35B9
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50493934
PNG
(CHEMBL2442281)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2c(ccc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C18H11ClO4/c19-13-4-6-15-11(8-13)2-1-10-7-12(3-5-14(10)15)16(20)9-17(21)18(22)23/h1-8H,9H2,(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem Lett 23: 6146-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.009
BindingDB Entry DOI: 10.7270/Q2PC35B9
More data for this
Ligand-Target Pair