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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50478000'   
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)
BDBM50478000
PNG
(CHEMBL261833)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20N2O6S/c29-25(27-23-12-6-4-10-21(23)26(30)31)22-11-5-7-13-24(22)35(32,33)28-18-14-16-20(17-15-18)34-19-8-2-1-3-9-19/h1-17,28H,(H,27,29)(H,30,31)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478000
PNG
(CHEMBL261833)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20N2O6S/c29-25(27-23-12-6-4-10-21(23)26(30)31)22-11-5-7-13-24(22)35(32,33)28-18-14-16-20(17-15-18)34-19-8-2-1-3-9-19/h1-17,28H,(H,27,29)(H,30,31)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair