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PubMed code 22380777

Compile data set for download or QSAR
Found 16 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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237346
PNG
(3-(4-Chlorobenzo[d]thiazol-2-yl)-2-(2-chloro-6-flu...)
Show SMILES Fc1cccc(Cl)c1C1SCC(=O)N1c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H9Cl2FN2OS2/c17-8-3-1-5-10(19)13(8)15-21(12(22)7-23-15)16-20-14-9(18)4-2-6-11(14)24-16/h1-6,15H,7H2
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n/an/a 40n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237348
PNG
(3-(6-Fluorobenzo[d]thiazol-2-yl)-2-(2,6-dichloroph...)
Show SMILES Fc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H9Cl2FN2OS2/c17-9-2-1-3-10(18)14(9)15-21(13(22)7-23-15)16-20-11-5-4-8(19)6-12(11)24-16/h1-6,15H,7H2
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n/an/a 250n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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PubMed
n/an/a 300n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237352
PNG
(3-(4-Methoxybenzo[d]thiazol-2-yl)-2-(2,6-dichlorop...)
Show SMILES COc1cccc2sc(nc12)N1C(SCC1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2S2/c1-23-11-6-3-7-12-15(11)20-17(25-12)21-13(22)8-24-16(21)14-9(18)4-2-5-10(14)19/h2-7,16H,8H2,1H3
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n/an/a 3.00E+3n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237354
PNG
(3-(6-Ethoxybenzo[d]thiazol-2-yl)-2-(2-chloro-6-flu...)
Show SMILES CCOc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C18H14ClFN2O2S2/c1-2-24-10-6-7-13-14(8-10)26-18(21-13)22-15(23)9-25-17(22)16-11(19)4-3-5-12(16)20/h3-8,17H,2,9H2,1H3
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n/an/a 3.40E+3n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237344
PNG
(3-(6-Chlorobenzo[d]thiazol-2-yl)-2-(2-chloro-6-flu...)
Show SMILES Fc1cccc(Cl)c1C1SCC(=O)N1c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C16H9Cl2FN2OS2/c17-8-4-5-11-12(6-8)24-16(20-11)21-13(22)7-23-15(21)14-9(18)2-1-3-10(14)19/h1-6,15H,7H2
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237351
PNG
(3-(6-Methoxybenzo[d]thiazol-2-yl)-2-(2,6-difluorop...)
Show SMILES COc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H12F2N2O2S2/c1-23-9-5-6-12-13(7-9)25-17(20-12)21-14(22)8-24-16(21)15-10(18)3-2-4-11(15)19/h2-7,16H,8H2,1H3
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237353
PNG
(3-(4-Methoxybenzo[d]thiazol-2-yl)-2-(2-chloro-6-fl...)
Show SMILES COc1cccc2sc(nc12)N1C(SCC1=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C17H12ClFN2O2S2/c1-23-11-6-3-7-12-15(11)20-17(25-12)21-13(22)8-24-16(21)14-9(18)4-2-5-10(14)19/h2-7,16H,8H2,1H3
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237347
PNG
(3-(4-Chlorobenzo[d]thiazol-2-yl)-2-(2,6-difluoroph...)
Show SMILES Fc1cccc(F)c1C1SCC(=O)N1c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H9ClF2N2OS2/c17-8-3-1-6-11-14(8)20-16(24-11)21-12(22)7-23-15(21)13-9(18)4-2-5-10(13)19/h1-6,15H,7H2
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237350
PNG
(3-(6-Methoxybenzo[d]thiazol-2-yl)-2-(2-chloro-6-fl...)
Show SMILES COc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C17H12ClFN2O2S2/c1-23-9-5-6-12-13(7-9)25-17(20-12)21-14(22)8-24-16(21)15-10(18)3-2-4-11(15)19/h2-7,16H,8H2,1H3
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237341
PNG
(3-(Benzo[d]thiazol-2-yl)-2-(2,6-difluorophenyl)thi...)
Show SMILES Fc1cccc(F)c1C1SCC(=O)N1c1nc2ccccc2s1
Show InChI InChI=1S/C16H10F2N2OS2/c17-9-4-3-5-10(18)14(9)15-20(13(21)8-22-15)16-19-11-6-1-2-7-12(11)23-16/h1-7,15H,8H2
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237349
PNG
(3-(6-Methoxybenzo[d]thiazol-2-yl)-2-(2,6-dichlorop...)
Show SMILES COc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2S2/c1-23-9-5-6-12-13(7-9)25-17(20-12)21-14(22)8-24-16(21)15-10(18)3-2-4-11(15)19/h2-7,16H,8H2,1H3
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237342
PNG
(3-(Benzo[d]thiazol-2-yl)-2-(2-chloro-6-fluoropheny...)
Show SMILES Fc1cccc(Cl)c1C1SCC(=O)N1c1nc2ccccc2s1
Show InChI InChI=1S/C16H10ClFN2OS2/c17-9-4-3-5-10(18)14(9)15-20(13(21)8-22-15)16-19-11-6-1-2-7-12(11)23-16/h1-7,15H,8H2
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237345
PNG
(3-(4-Chlorobenzo[d]thiazol-2-yl)-2-(2,6-dichloroph...)
Show SMILES Clc1cccc(Cl)c1C1SCC(=O)N1c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H9Cl3N2OS2/c17-8-3-1-4-9(18)13(8)15-21(12(22)7-23-15)16-20-14-10(19)5-2-6-11(14)24-16/h1-6,15H,7H2
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237343
PNG
(3-(6-Chlorobenzo[d]thiazol-2-yl)-2-(2,6-dichloroph...)
Show SMILES Clc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H9Cl3N2OS2/c17-8-4-5-11-12(6-8)24-16(20-11)21-13(22)7-23-15(21)14-9(18)2-1-3-10(14)19/h1-6,15H,7H2
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM237355
PNG
(3-(6-Ethoxybenzo[d]thiazol-2-yl)-2-(2,6-difluoroph...)
Show SMILES CCOc1ccc2nc(sc2c1)N1C(SCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H14F2N2O2S2/c1-2-24-10-6-7-13-14(8-10)26-18(21-13)22-15(23)9-25-17(22)16-11(19)4-3-5-12(16)20/h3-8,17H,2,9H2,1H3
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n/an/a>4.00E+4n/an/an/an/a7.837



Aristotle University of Thessaloniki



Assay Description
HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is ...


J Enzyme Inhib Med Chem 28: 113-22 (2013)


Article DOI: 10.3109/14756366.2011.636362
BindingDB Entry DOI: 10.7270/Q2PR7TV6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%