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Found 3083 hits Enz. Inhib. hit(s) with Target = 'HIV-1 Reverse Transcriptase' AND taxid = 11706   
Target
(Institution)
LigandTarget
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
HIV-1 Reverse Transcriptase


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (V106A)


(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
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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40 -43.9n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (V179D)


(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
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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100 -41.6n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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100 -41.6n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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110 -41.3n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(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
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181I)


(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
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(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
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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250 -39.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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250 -39.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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300 -38.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V179D)


(Human immunodeficiency virus type 1)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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300 -38.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L)


(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
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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380 -38.1n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(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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400 -38.0n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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800 -36.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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800 -36.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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1.50E+3 -34.6n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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1.80E+3 -34.1n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V179D)


(Human immunodeficiency virus type 1)
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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2.00E+3 -33.8n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V179D)


(Human immunodeficiency virus type 1)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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2.00E+3 -33.8n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V179D)


(Human immunodeficiency virus type 1)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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3.60E+3 -32.3n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
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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7.00E+3 -30.6n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
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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9.00E+3 -30.0n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
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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1.00E+4 -29.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L)


(Human immunodeficiency virus type 1)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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<1.00E+4<-29.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181I)


(Human immunodeficiency virus type 1)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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<1.00E+4<-29.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181I)


(Human immunodeficiency virus type 1)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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<1.00E+4<-29.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181I)


(Human immunodeficiency virus type 1)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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<1.00E+4<-29.7n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L)


(Human immunodeficiency virus type 1)
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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1.80E+4 -28.2n/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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181I)


(Human immunodeficiency virus type 1)
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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3.60E+4 -26.4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM168608
PNG
(US9079834, 2)
Show SMILES CCCCCN([C@H](CO)CCC(F)(F)CNC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1/C35H45F2N3O7S/c1-3-4-11-22-40(48(45,46)30-18-16-26(23-41)17-19-30)29(24-42)20-21-35(36,37)25-38-33(43)32(39-34(44)47-2)31(27-12-7-5-8-13-27)28-14-9-6-10-15-28/h5-10,12-19,29,31-32,41-42H,3-4,11,20-25H2,1-2H3,(H,38,43)(H,39,44)/t29-,32-/s2
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n/an/a 0.0190n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA ...


US Patent US9079834 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM60467
PNG
(BDBM168607 | US9079834, 1-1)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C34H45FN4O6S/c1-24(2)20-21-39(46(43,44)30-18-15-28(36)16-19-30)29(23-40)17-14-27(35)22-37-33(41)32(38-34(42)45-3)31(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,15-16,18-19,24,27,29,31-32,40H,14,17,20-23,36H2,1-3H3,(H,37,41)(H,38,42)/t27?,29-,32-/s2
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA ...


US Patent US9079834 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM60623
PNG
(BDBM180165 | US9133157, 103)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2[nH]ccc2c1)C(F)(F)F
Show InChI InChI=1/C39H43F3N4O6S2/c1-38(2,3)20-22-46(54(50,51)28-15-16-29-27(23-28)19-21-43-29)30(24-47)31-17-18-32(53-31)35(39(40,41)42)45-36(48)34(44-37(49)52-4)33(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-19,21,23,30,33-35,43,47H,20,22,24H2,1-4H3,(H,44,49)(H,45,48)/t30-,34+,35-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180212
PNG
(US9133157, 94)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2cc[nH]c2c1)C(F)(F)F
Show InChI InChI=1/C39H43F3N4O6S2/c1-38(2,3)20-22-46(54(50,51)28-16-15-25-19-21-43-29(25)23-28)30(24-47)31-17-18-32(53-31)35(39(40,41)42)45-36(48)34(44-37(49)52-4)33(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-19,21,23,30,33-35,43,47H,20,22,24H2,1-4H3,(H,44,49)(H,45,48)/t30-,34+,35-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180171
PNG
(US9133157, 53)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(CO)cc1)C(F)(F)F
Show InChI InChI=1/C38H44F3N3O7S2/c1-37(2,3)21-22-44(53(49,50)28-17-15-25(23-45)16-18-28)29(24-46)30-19-20-31(52-30)34(38(39,40)41)43-35(47)33(42-36(48)51-4)32(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-20,29,32-34,45-46H,21-24H2,1-4H3,(H,42,48)(H,43,47)/t29-,33+,34-/s2
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n/an/a 0.156n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180183
PNG
(US9133157, 65)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(CO)cc1)C(F)(F)F
Show InChI InChI=1/C35H38F3N3O7S2/c1-22(2)41(50(46,47)26-16-14-23(20-42)15-17-26)27(21-43)28-18-19-29(49-28)32(35(36,37)38)40-33(44)31(39-34(45)48-3)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19,22,27,30-32,42-43H,20-21H2,1-3H3,(H,39,45)(H,40,44)/t27-,31+,32-/s2
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n/an/a 0.180n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180163
PNG
(US9133157, 44)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1/C37H43F3N4O6S2/c1-36(2,3)21-22-44(52(48,49)27-17-15-26(41)16-18-27)28(23-45)29-19-20-30(51-29)33(37(38,39)40)43-34(46)32(42-35(47)50-4)31(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-20,28,31-33,45H,21-23,41H2,1-4H3,(H,42,47)(H,43,46)/t28-,32+,33-/s2
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n/an/a 0.196n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180201
PNG
(US9133157, 83)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1/C36H41F3N4O6S2/c1-23(2)20-21-43(51(47,48)27-16-14-26(40)15-17-27)28(22-44)29-18-19-30(50-29)33(36(37,38)39)42-34(45)32(41-35(46)49-3)31(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-19,23,28,31-33,44H,20-22,40H2,1-3H3,(H,41,46)(H,42,45)/t28-,32+,33-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180164
PNG
(US9133157, 102 | US9133157, 45)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2cn[nH]c2c1)C(F)(F)F
Show InChI InChI=1/C38H42F3N5O6S2/c1-37(2,3)19-20-46(54(50,51)27-16-15-26-22-42-45-28(26)21-27)29(23-47)30-17-18-31(53-30)34(38(39,40)41)44-35(48)33(43-36(49)52-4)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-22,29,32-34,47H,19-20,23H2,1-4H3,(H,42,45)(H,43,49)(H,44,48)/t29-,33+,34-/s2
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n/an/a 0.308n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180119
PNG
(US9133157, 8)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NC(C)c1ccc(s1)C(CO)N(CCC(C)C)S(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1/C37H45N3O7S2/c1-25(2)21-22-40(49(45,46)30-17-15-27(23-41)16-18-30)31(24-42)33-20-19-32(48-33)26(3)38-36(43)35(39-37(44)47-4)34(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-20,25-26,31,34-35,41-42H,21-24H2,1-4H3,(H,38,43)(H,39,44)/t26?,31?,35-/s2
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n/an/a 0.310n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180211
PNG
(US9133157, 93)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2[nH]ncc2c1)C(F)(F)F
Show InChI InChI=1/C38H42F3N5O6S2/c1-37(2,3)19-20-46(54(50,51)27-15-16-28-26(21-27)22-42-45-28)29(23-47)30-17-18-31(53-30)34(38(39,40)41)44-35(48)33(43-36(49)52-4)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-22,29,32-34,47H,19-20,23H2,1-4H3,(H,42,45)(H,43,49)(H,44,48)/t29-,33+,34-/s2
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n/an/a 0.310n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180206
PNG
(US9133157, 88)
Show SMILES CCCCN([C@H](CO)c1ccc(s1)[C@@H](NC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C35H39F3N4O6S2/c1-3-4-21-42(50(46,47)26-17-15-25(39)16-18-26)27(22-43)28-19-20-29(49-28)32(35(36,37)38)41-33(44)31(40-34(45)48-2)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-20,27,30-32,43H,3-4,21-22,39H2,1-2H3,(H,40,45)(H,41,44)/t27-,31+,32-/s2
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n/an/a 0.330n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180203
PNG
(US9133157, 85)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(F)(F)F)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1/C34H34F6N4O6S2/c1-50-32(47)42-29(28(21-8-4-2-5-9-21)22-10-6-3-7-11-22)31(46)43-30(34(38,39)40)27-17-16-26(51-27)25(20-45)44(19-18-33(35,36)37)52(48,49)24-14-12-23(41)13-15-24/h2-17,25,28-30,45H,18-20,41H2,1H3,(H,42,47)(H,43,46)/t25-,29+,30-/s2
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n/an/a 0.330n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180204
PNG
(US9133157, 86)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC1CC1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1/C36H39F3N4O6S2/c1-49-35(46)41-32(31(24-8-4-2-5-9-24)25-10-6-3-7-11-25)34(45)42-33(36(37,38)39)30-19-18-29(50-30)28(22-44)43(21-20-23-12-13-23)51(47,48)27-16-14-26(40)15-17-27/h2-11,14-19,23,28,31-33,44H,12-13,20-22,40H2,1H3,(H,41,46)(H,42,45)/t28-,32+,33-/s2
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n/an/a 0.340n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM168610
PNG
(US9079834, 5)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)(F)CC[C@@H](CO)N(Cc1cn[nH]c1)S(=O)(=O)c1ccc2ncsc2c1
Show InChI InChI=1/C34H36F2N6O6S2/c1-48-33(45)41-31(30(24-8-4-2-5-9-24)25-10-6-3-7-11-25)32(44)37-21-34(35,36)15-14-26(20-43)42(19-23-17-39-40-18-23)50(46,47)27-12-13-28-29(16-27)49-22-38-28/h2-13,16-18,22,26,30-31,43H,14-15,19-21H2,1H3,(H,37,44)(H,39,40)(H,41,45)/t26-,31-/s2
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n/an/a 0.390n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA ...


US Patent US9079834 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM168612
PNG
(US9079834, 7)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)(F)CC[C@H](N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1)C(N)=O
Show InChI InChI=1/C35H37F4N5O6S2/c1-50-33(47)43-30(29(23-8-4-2-5-9-23)24-10-6-3-7-11-24)32(46)41-20-34(36,37)15-14-27(31(40)45)44(19-22-17-35(38,39)18-22)52(48,49)25-12-13-26-28(16-25)51-21-42-26/h2-13,16,21-22,27,29-30H,14-15,17-20H2,1H3,(H2,40,45)(H,41,46)(H,43,47)/t27-,30-/s2
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n/an/a 0.430n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA ...


US Patent US9079834 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180216
PNG
(US9133157, 98)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cc1F)C(F)(F)F
Show InChI InChI=1/C37H42F4N4O6S2/c1-36(2,3)19-20-45(53(49,50)30-18-15-25(42)21-26(30)38)27(22-46)28-16-17-29(52-28)33(37(39,40)41)44-34(47)32(43-35(48)51-4)31(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21,27,31-33,46H,19-20,22,42H2,1-4H3,(H,43,48)(H,44,47)/t27-,32+,33-/s2
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n/an/a 0.440n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180135
PNG
(US9133157, 16)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(s1)[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1/C38H38F2N4O7S2/c1-51-37(48)43-34(33(26-8-4-2-5-9-26)27-10-6-3-7-11-27)36(47)42-21-28-13-15-32(52-28)31(23-45)44(22-24-19-38(39,40)20-24)53(49,50)29-14-12-25-16-17-41-35(46)30(25)18-29/h2-18,24,31,33-34,45H,19-23H2,1H3,(H,41,46)(H,42,47)(H,43,48)/t31-,34+/s2
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n/an/a 0.440n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180192
PNG
(US9133157, 74)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2nc[nH]c2c1)C(F)(F)F
Show InChI InChI=1/C38H42F3N5O6S2/c1-37(2,3)19-20-46(54(50,51)26-15-16-27-28(21-26)43-23-42-27)29(22-47)30-17-18-31(53-30)34(38(39,40)41)45-35(48)33(44-36(49)52-4)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21,23,29,32-34,47H,19-20,22H2,1-4H3,(H,42,43)(H,44,49)(H,45,48)/t29-,33+,34-/s2
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n/an/a 0.450n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM180232
PNG
(US9133157, 117)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cc1Cl)C(F)(F)F
Show InChI InChI=1/C37H42ClF3N4O6S2/c1-36(2,3)19-20-45(53(49,50)30-18-15-25(42)21-26(30)38)27(22-46)28-16-17-29(52-28)33(37(39,40)41)44-34(47)32(43-35(48)51-4)31(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21,27,31-33,46H,19-20,22,42H2,1-4H3,(H,43,48)(H,44,47)/t27-,32+,33-/s2
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n/an/a 0.470n/an/an/an/an/an/a



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...


US Patent US9133157 (2015)

More data for this
Ligand-Target Pair
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