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Compile Data Set for Download or QSAR

Found 44 hits from Birla Institute of Technology & Science   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse transcriptase (HIV-1 RT)


(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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n/an/a 25n/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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
More data for this
Ligand-Target Pair
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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n/an/a 25n/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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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)
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175341
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H22ClN3O4/c25-19-9-7-18(8-10-19)23(16-27-15-3-5-17-4-1-2-6-22(17)27)32-24(29)26-20-11-13-21(14-12-20)28(30)31/h1-2,4,6-14,23H,3,5,15-16H2,(H,26,29)
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n/an/a 5.42E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
More data for this
Ligand-Target Pair
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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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
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175333
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Cc1ccccc1NC(=O)OC(CN1CCCc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O2/c1-18-7-2-4-10-22(18)27-25(29)30-24(20-12-14-21(26)15-13-20)17-28-16-6-9-19-8-3-5-11-23(19)28/h2-5,7-8,10-15,24H,6,9,16-17H2,1H3,(H,27,29)
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n/an/a 8.12E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175343
PNG
(Ethyl4-((1-(4-chlorophenyl)-2-(3,4-dihydroquinolin...)
Show SMILES CCOC(=O)c1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H27ClN2O4/c1-2-33-26(31)21-11-15-23(16-12-21)29-27(32)34-25(20-9-13-22(28)14-10-20)18-30-17-5-7-19-6-3-4-8-24(19)30/h3-4,6,8-16,25H,2,5,7,17-18H2,1H3,(H,29,32)
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n/an/a 1.23E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192670
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-o-...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3C)CCCc2c1
Show InChI InChI=1S/C24H31N3O2/c1-19-6-3-4-8-22(19)26-14-16-27(17-15-26)24(28)11-13-25-12-5-7-20-18-21(29-2)9-10-23(20)25/h3-4,6,8-10,18H,5,7,11-17H2,1-2H3
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n/an/a 1.25E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
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...)
BDBM192683
PNG
(1-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-(6-meth...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3cccc(Cl)c3Cl)CCCc2c1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-30-18-7-8-20-17(16-18)4-3-10-26(20)11-9-22(29)28-14-12-27(13-15-28)21-6-2-5-19(24)23(21)25/h2,5-8,16H,3-4,9-15H2,1H3
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n/an/a 1.45E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175340
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H22ClN3O4/c25-19-12-10-18(11-13-19)23(16-27-14-4-6-17-5-1-2-9-22(17)27)32-24(29)26-20-7-3-8-21(15-20)28(30)31/h1-3,5,7-13,15,23H,4,6,14,16H2,(H,26,29)
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n/an/a 1.49E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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...)
BDBM192678
PNG
(1-(4-(3-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3cccc(Cl)c3)CCCc2c1
Show InChI InChI=1S/C23H28ClN3O2/c1-29-21-7-8-22-18(16-21)4-3-10-26(22)11-9-23(28)27-14-12-25(13-15-27)20-6-2-5-19(24)17-20/h2,5-8,16-17H,3-4,9-15H2,1H3
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n/an/a 1.86E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175339
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Clc1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H22Cl2N2O2/c25-19-9-7-18(8-10-19)23(30-24(29)27-21-13-11-20(26)12-14-21)16-28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23H,3,5,15-16H2,(H,27,29)
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n/an/a 2.38E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192669
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-ph...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3)CCCc2c1
Show InChI InChI=1S/C23H29N3O2/c1-28-21-9-10-22-19(18-21)6-5-12-25(22)13-11-23(27)26-16-14-24(15-17-26)20-7-3-2-4-8-20/h2-4,7-10,18H,5-6,11-17H2,1H3
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n/an/a 2.43E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192679
PNG
(1-(4-(4-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(Cl)cc3)CCCc2c1
Show InChI InChI=1S/C23H28ClN3O2/c1-29-21-8-9-22-18(17-21)3-2-11-26(22)12-10-23(28)27-15-13-25(14-16-27)20-6-4-19(24)5-7-20/h4-9,17H,2-3,10-16H2,1H3
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n/an/a 2.49E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
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...)
BDBM192671
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-p-...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(C)cc3)CCCc2c1
Show InChI InChI=1S/C24H31N3O2/c1-19-5-7-21(8-6-19)25-14-16-27(17-15-25)24(28)11-13-26-12-3-4-20-18-22(29-2)9-10-23(20)26/h5-10,18H,3-4,11-17H2,1-2H3
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n/an/a 2.85E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192677
PNG
(1-(4-(2-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3Cl)CCCc2c1
Show InChI InChI=1S/C23H28ClN3O2/c1-29-19-8-9-21-18(17-19)5-4-11-25(21)12-10-23(28)27-15-13-26(14-16-27)22-7-3-2-6-20(22)24/h2-3,6-9,17H,4-5,10-16H2,1H3
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n/an/a 3.29E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175332
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Clc1ccc(cc1)C(CN1CCCc2ccccc12)OC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H23ClN2O2/c25-20-14-12-19(13-15-20)23(29-24(28)26-21-9-2-1-3-10-21)17-27-16-6-8-18-7-4-5-11-22(18)27/h1-5,7,9-15,23H,6,8,16-17H2,(H,26,28)
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n/an/a 3.70E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175342
PNG
(Ethyl 2-((1-(4-chlorophenyl)-2-(3,4-dihydroquinoli...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)OC(CN1CCCc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O4/c1-2-33-26(31)22-10-4-5-11-23(22)29-27(32)34-25(20-13-15-21(28)16-14-20)18-30-17-7-9-19-8-3-6-12-24(19)30/h3-6,8,10-16,25H,2,7,9,17-18H2,1H3,(H,29,32)
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n/an/a 3.90E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192675
PNG
(1-(4-(2-fluorophenyl) piperazin-1-yl)-3-(6-methoxy...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3F)CCCc2c1
Show InChI InChI=1S/C23H28FN3O2/c1-29-19-8-9-21-18(17-19)5-4-11-25(21)12-10-23(28)27-15-13-26(14-16-27)22-7-3-2-6-20(22)24/h2-3,6-9,17H,4-5,10-16H2,1H3
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n/an/a 4.75E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175338
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Fc1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H22ClFN2O2/c25-19-9-7-18(8-10-19)23(30-24(29)27-21-13-11-20(26)12-14-21)16-28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23H,3,5,15-16H2,(H,27,29)
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n/an/a 4.86E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192682
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(p...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccn3)CCCc2c1
Show InChI InChI=1S/C22H28N4O2/c1-28-19-7-8-20-18(17-19)5-4-11-24(20)12-9-22(27)26-15-13-25(14-16-26)21-6-2-3-10-23-21/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3
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n/an/a 4.86E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192672
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(2...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3OC)CCCc2c1
Show InChI InChI=1S/C24H31N3O3/c1-29-20-9-10-21-19(18-20)6-5-12-25(21)13-11-24(28)27-16-14-26(15-17-27)22-7-3-4-8-23(22)30-2/h3-4,7-10,18H,5-6,11-17H2,1-2H3
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n/an/a 5.28E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
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...)
BDBM192673
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(3...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCCc2cc(OC)ccc12
Show InChI InChI=1S/C24H31N3O3/c1-29-21-7-3-6-20(18-21)25-13-15-27(16-14-25)24(28)10-12-26-11-4-5-19-17-22(30-2)8-9-23(19)26/h3,6-9,17-18H,4-5,10-16H2,1-2H3
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n/an/a 5.82E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175334
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Cc1cccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H25ClN2O2/c1-18-6-4-9-22(16-18)27-25(29)30-24(20-11-13-21(26)14-12-20)17-28-15-5-8-19-7-2-3-10-23(19)28/h2-4,6-7,9-14,16,24H,5,8,15,17H2,1H3,(H,27,29)
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n/an/a 6.83E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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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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
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175337
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Fc1cccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H22ClFN2O2/c25-19-12-10-18(11-13-19)23(30-24(29)27-21-8-3-7-20(26)15-21)16-28-14-4-6-17-5-1-2-9-22(17)28/h1-3,5,7-13,15,23H,4,6,14,16H2,(H,27,29)
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n/an/a 7.21E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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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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...)
BDBM192676
PNG
(1-(4-(4-fluorophenyl) piperazin-1-yl)-3-(6-methoxy...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(F)cc3)CCCc2c1
Show InChI InChI=1S/C23H28FN3O2/c1-29-21-8-9-22-18(17-21)3-2-11-26(22)12-10-23(28)27-15-13-25(14-16-27)20-6-4-19(24)5-7-20/h4-9,17H,2-3,10-16H2,1H3
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n/an/a 7.85E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192680
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(4...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)CCCc2c1
Show InChI InChI=1S/C23H28N4O4/c1-31-21-8-9-22-18(17-21)3-2-11-25(22)12-10-23(28)26-15-13-24(14-16-26)19-4-6-20(7-5-19)27(29)30/h4-9,17H,2-3,10-16H2,1H3
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n/an/a 8.27E+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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175335
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Cc1ccc(NC(=O)OC(CN2CCCc3ccccc23)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O2/c1-18-8-14-22(15-9-18)27-25(29)30-24(20-10-12-21(26)13-11-20)17-28-16-4-6-19-5-2-3-7-23(19)28/h2-3,5,7-15,24H,4,6,16-17H2,1H3,(H,27,29)
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n/an/a 8.36E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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
HIV-1 Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM175336
PNG
(1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl...)
Show SMILES Fc1ccccc1NC(=O)OC(CN1CCCc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClFN2O2/c25-19-13-11-18(12-14-19)23(30-24(29)27-21-9-3-2-8-20(21)26)16-28-15-5-7-17-6-1-4-10-22(17)28/h1-4,6,8-14,23H,5,7,15-16H2,(H,27,29)
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n/an/a 9.03E+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 64: 66-73 (2016)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2RB73CQ
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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UniChem
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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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192681
PNG
(1-(4-benzylpiperazin-1-yl)-3-(6-methoxy-3,4-dihydr...)
Show SMILES COc1ccc2N(CCC(=O)N3CCN(Cc4ccccc4)CC3)CCCc2c1
Show InChI InChI=1S/C24H31N3O2/c1-29-22-9-10-23-21(18-22)8-5-12-26(23)13-11-24(28)27-16-14-25(15-17-27)19-20-6-3-2-4-7-20/h2-4,6-7,9-10,18H,5,8,11-17,19H2,1H3
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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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM192674
PNG
(3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(4...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCCc2cc(OC)ccc12
Show InChI InChI=1S/C24H31N3O3/c1-29-21-7-5-20(6-8-21)25-14-16-27(17-15-25)24(28)11-13-26-12-3-4-19-18-22(30-2)9-10-23(19)26/h5-10,18H,3-4,11-17H2,1-2H3
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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 67: 75-83 (2016)


Article DOI: 10.1016/j.bioorg.2016.05.009
BindingDB Entry DOI: 10.7270/Q2VT1QWC
More data for this
Ligand-Target Pair