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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'al-maqtari' and Initial = 'hm'   
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...)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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PDB
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222423
PNG
(5-(3-chlorobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-11-9-16(21)19-14-7-2-3-8-15(14)20(11)17(22)12-5-4-6-13(18)10-12/h2-8,10-11H,9H2,1H3,(H,19,21)
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UniChem
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n/an/a 6.87E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222422
PNG
(5-(2-chlorobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H15ClN2O2/c1-11-10-16(21)19-14-8-4-5-9-15(14)20(11)17(22)12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,19,21)
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n/an/a 8.62E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222414
PNG
(5-(2-methylbenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1C
Show InChI InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)18(22)20-13(2)11-17(21)19-15-9-5-6-10-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222413
PNG
(5-(benzoyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-ben...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2O2/c1-12-11-16(20)18-14-9-5-6-10-15(14)19(12)17(21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,20)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222421
PNG
(5-(4-fluorobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O2/c1-11-10-16(21)19-14-4-2-3-5-15(14)20(11)17(22)12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222415
PNG
(5-(3-methylbenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1
Show InChI InChI=1S/C18H18N2O2/c1-12-6-5-7-14(10-12)18(22)20-13(2)11-17(21)19-15-8-3-4-9-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21)
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n/an/a 2.64E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222424
PNG
(5-(4-chlorobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-11-10-16(21)19-14-4-2-3-5-15(14)20(11)17(22)12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
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n/an/a 3.83E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222418
PNG
(5-(4-methoxybenzoyl)-4-methyl-1,3,4,5-tetrahydro-2...)
Show SMILES COc1ccc(cc1)C(=O)N1C(C)CC(=O)Nc2ccccc12
Show InChI InChI=1S/C18H18N2O3/c1-12-11-17(21)19-15-5-3-4-6-16(15)20(12)18(22)13-7-9-14(23-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,21)
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n/an/a 5.46E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222426
PNG
(5-(4-bromobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H-...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN2O2/c1-11-10-16(21)19-14-4-2-3-5-15(14)20(11)17(22)12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
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UniChem
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n/an/a 6.87E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222420
PNG
(5-(3-fluorobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H15FN2O2/c1-11-9-16(21)19-14-7-2-3-8-15(14)20(11)17(22)12-5-4-6-13(18)10-12/h2-8,10-11H,9H2,1H3,(H,19,21)
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UniChem
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n/an/a 7.63E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222417
PNG
(5-(3-methoxybenzoyl)-4-methyl-1,3,4,5-tetrahydro-2...)
Show SMILES COc1cccc(c1)C(=O)N1C(C)CC(=O)Nc2ccccc12
Show InChI InChI=1S/C18H18N2O3/c1-12-10-17(21)19-15-8-3-4-9-16(15)20(12)18(22)13-6-5-7-14(11-13)23-2/h3-9,11-12H,10H2,1-2H3,(H,19,21)
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n/an/a 8.79E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222425
PNG
(5-(2-bromobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H-...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Br
Show InChI InChI=1S/C17H15BrN2O2/c1-11-10-16(21)19-14-8-4-5-9-15(14)20(11)17(22)12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,19,21)
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n/an/a 9.25E+4n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222419
PNG
(5-(2-fluorobenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1F
Show InChI InChI=1S/C17H15FN2O2/c1-11-10-16(21)19-14-8-4-5-9-15(14)20(11)17(22)12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM222416
PNG
(5-(4-methylbenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...)
Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H18N2O2/c1-12-7-9-14(10-8-12)18(22)20-13(2)11-17(21)19-15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Birla Institute of Technology & Science



Assay Description
The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...


Bioorg Chem 72: 74-79 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.013
BindingDB Entry DOI: 10.7270/Q28K77XM
More data for this
Ligand-Target Pair