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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 239,50006683,6926   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM231619
PNG
(GSK5750)
Show SMILES On1c2ncccc2c(NCc2cc3ccccc3s2)nc1=O
Show InChI InChI=1S/C16H12N4O2S/c21-16-19-14(12-5-3-7-17-15(12)20(16)22)18-9-11-8-10-4-1-2-6-13(10)23-11/h1-8,22H,9H2,(H,18,19,21)
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UniChem
Article
PubMed
n/an/an/a 387n/an/an/an/an/a



McGill University



Assay Description
In this case, 1 μM HIV-1 RT was added to 50 mM Tris-HCl (pH 7.8), 50 mM NaCl, 6 mM MgCl2, and varying concentrations of GSK5750 to form enzyme-i...


J Biol Chem 289: 16270-7 (2014)


Article DOI: 10.1074/jbc.M114.569707
BindingDB Entry DOI: 10.7270/Q2MW2G0Q
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50163754
PNG
(CHEMBL1614842)
Show SMILES Cn1nc(cc1N)-c1cc2OCOc2c(Br)c1
Show InChI InChI=1S/C11H10BrN3O2/c1-15-10(13)4-8(14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5,13H2,1H3
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PDB
Article
PubMed
n/an/an/a 1.70E+5n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to HIV integrase


J Med Chem 59: 2849-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrase


(Human immunodeficiency virus 1)
BDBM50163753
PNG
(CHEMBL1615094)
Show SMILES Cn1nc(cc1N)-c1cccs1
Show InChI InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
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n/an/an/a 2.80E+6n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to HIV integrase


J Med Chem 59: 2849-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrase


(Human immunodeficiency virus 1)
BDBM36291
PNG
(sesamol)
Show SMILES Oc1ccc2OCOc2c1
Show InChI InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 5.50E+6n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to HIV integrase


J Med Chem 59: 2849-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)