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PubMed code 26717022

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Reverse transcriptase protein


(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 |r|
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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Article
PubMed
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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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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PubMed
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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
Reverse transcriptase protein


(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
* indicates data uncertainty>20%