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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50490550'   
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)
BDBM50490550
PNG
(CHEMBL2325493)
Show SMILES CN1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)11-12-4-5-14(19)15-13(12)3-2-6-16-15/h2-6,19H,7-11H2,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50490550
PNG
(CHEMBL2325493)
Show SMILES CN1CCN(Cc2ccc(O)c3ncccc23)CC1
Show InChI InChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)11-12-4-5-14(19)15-13(12)3-2-6-16-15/h2-6,19H,7-11H2,1H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase 3'-processing activity


J Med Chem 56: 2311-22 (2013)


Article DOI: 10.1021/jm301632e
BindingDB Entry DOI: 10.7270/Q2348P98
More data for this
Ligand-Target Pair