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Compile Data Set for Download or QSAR

Found 29 hits of ki for monomerid = 2483   
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


(Human immunodeficiency virus 1)
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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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay


Bioorg Med Chem Lett 20: 4328-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.083
BindingDB Entry DOI: 10.7270/Q2TH8QJ4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase by SPA assay


Bioorg Med Chem Lett 20: 4328-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.083
BindingDB Entry DOI: 10.7270/Q2TH8QJ4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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2.90n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


J Med Chem 62: 4851-4883 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00843
BindingDB Entry DOI: 10.7270/Q2F76H0J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 8 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)
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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4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase-DNA-dNTP ternary complex


J Med Chem 52: 840-51 (2009)


Article DOI: 10.1021/jm801330n
BindingDB Entry DOI: 10.7270/Q22V2JXB
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
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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8.5n/an/an/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay


Bioorg Med Chem Lett 20: 4328-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.083
BindingDB Entry DOI: 10.7270/Q2TH8QJ4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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10n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 1150-8 (2013)


Article DOI: 10.1016/j.bmc.2012.12.027
BindingDB Entry DOI: 10.7270/Q2NZ8BKZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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17n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity towards L100I mutant HIV-1 reverse transcriptase (as per ref 10 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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17n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 6 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)
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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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 3B reverse transcriptase


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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30n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 free reverse transcriptase


J Med Chem 52: 840-51 (2009)


Article DOI: 10.1021/jm801330n
BindingDB Entry DOI: 10.7270/Q22V2JXB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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30n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase-DNA binary complex


J Med Chem 52: 840-51 (2009)


Article DOI: 10.1021/jm801330n
BindingDB Entry DOI: 10.7270/Q22V2JXB
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]


(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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30 -44.7n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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30n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,V694A]/[588-1147,V694A]


(Human immunodeficiency virus type 1)
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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40n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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40n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,V767D]/[588-1147,V767D]


(Human immunodeficiency virus type 1)
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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100n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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120n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I]


(Human immunodeficiency virus type 1)
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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120 -41.1n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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150n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I]


(Human immunodeficiency virus type 1)
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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150 -40.5n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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160n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N]


(Human immunodeficiency virus type 1)
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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160 -40.3n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase protein


(Human immunodeficiency virus 1)
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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200n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA-dNTP ternary complex expressed in Escherichia coli BL21


J Med Chem 52: 840-51 (2009)


Article DOI: 10.1021/jm801330n
BindingDB Entry DOI: 10.7270/Q22V2JXB
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
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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300n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,Y776L]/[588-1147,Y776L]


(Human immunodeficiency virus type 1)
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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380n/an/an/an/an/an/an/an/a



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase protein


(Human immunodeficiency virus 1)
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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1.50E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant free reverse transcriptase K103N mutant expressed in Escherichia coli BL21


J Med Chem 52: 840-51 (2009)


Article DOI: 10.1021/jm801330n
BindingDB Entry DOI: 10.7270/Q22V2JXB
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
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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1.60E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21


J Med Chem 52: 840-51 (2009)


Article DOI: 10.1021/jm801330n
BindingDB Entry DOI: 10.7270/Q22V2JXB
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
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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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant


J Med Chem 50: 5412-24 (2007)


Article DOI: 10.1021/jm070811e
BindingDB Entry DOI: 10.7270/Q2H99803
More data for this
Ligand-Target Pair