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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50476527'   
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)
BDBM50476527
PNG
(CHEMBL373760)
Show SMILES Oc1nc(nc(C(=O)Nc2ccccc2)c1O)-c1cccs1
Show InChI InChI=1S/C15H11N3O3S/c19-12-11(14(20)16-9-5-2-1-3-6-9)17-13(18-15(12)21)10-7-4-8-22-10/h1-8,19H,(H,16,20)(H,17,18,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Universidade Estadual do Oeste do Paran£

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


Eur J Med Chem 44: 3577-83 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.001
BindingDB Entry DOI: 10.7270/Q2348P7C
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50476527
PNG
(CHEMBL373760)
Show SMILES Oc1nc(nc(C(=O)Nc2ccccc2)c1O)-c1cccs1
Show InChI InChI=1S/C15H11N3O3S/c19-12-11(14(20)16-9-5-2-1-3-6-9)17-13(18-15(12)21)10-7-4-8-22-10/h1-8,19H,(H,16,20)(H,17,18,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



IRBM-MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


Bioorg Med Chem Lett 17: 350-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.054
BindingDB Entry DOI: 10.7270/Q2FN18ZF
More data for this
Ligand-Target Pair