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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM65595'   
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)
BDBM65595
PNG
(MLS001204096 | N-[(3-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O
Show InChI InChI=1S/C19H18N2O3/c1-12(22)21-17(14-5-3-7-15(11-14)24-2)16-9-8-13-6-4-10-20-18(13)19(16)23/h3-11,17,23H,1-2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

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)
BDBM65595
PNG
(MLS001204096 | N-[(3-methoxyphenyl)-(8-oxidanylqui...)
Show SMILES COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O
Show InChI InChI=1S/C19H18N2O3/c1-12(22)21-17(14-5-3-7-15(11-14)24-2)16-9-8-13-6-4-10-20-18(13)19(16)23/h3-11,17,23H,1-2H3,(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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