Compile Data Set for Download or QSAR
Found 30 Enz. Inhib. hit(s) with all data for entry = 3068
TargetGag-Pol polyprotein [588-1027](Human immunodeficiency virus type 1 group M subtyp...)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  30nM ΔG°:  -44.7kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V694A]/[588-1147,V694A](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  40nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V767D]/[588-1147,V767D](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  100nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027](Human immunodeficiency virus type 1 group M subtyp...)
Universita di Siena

LigandPNGBDBM27580(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
Affinity DataKi:  100nM ΔG°:  -41.6kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027](Human immunodeficiency virus type 1 group M subtyp...)
Universita di Siena

LigandPNGBDBM27582(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
Affinity DataKi:  110nM ΔG°:  -41.3kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  120nM ΔG°:  -41.1kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  150nM ΔG°:  -40.5kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  160nM ΔG°:  -40.3kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027](Human immunodeficiency virus type 1 group M subtyp...)
Universita di Siena

LigandPNGBDBM27581(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
Affinity DataKi:  250nM ΔG°:  -39.2kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27580(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
Affinity DataKi:  250nM ΔG°:  -39.2kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V767D]/[588-1147,V767D](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27580(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
Affinity DataKi:  300nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27580(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
Affinity DataKi:  300nM ΔG°:  -38.7kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y776L]/[588-1147,Y776L](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM2483((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
Affinity DataKi:  380nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027](Human immunodeficiency virus type 1 group M subtyp...)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  400nM ΔG°:  -38.0kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27582(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
Affinity DataKi:  800nM ΔG°:  -36.2kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27582(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
Affinity DataKi:  800nM ΔG°:  -36.2kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27581(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
Affinity DataKi:  1.50E+3nM ΔG°:  -34.6kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V694A]/[588-1147,V694A](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27581(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
Affinity DataKi:  1.80E+3nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V767D]/[588-1147,V767D](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  2.00E+3nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V767D]/[588-1147,V767D](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27582(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
Affinity DataKi:  2.00E+3nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V767D]/[588-1147,V767D](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27581(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
Affinity DataKi:  3.60E+3nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  7.00E+3nM ΔG°:  -30.6kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  9.00E+3nM ΔG°:  -30.0kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,V694A]/[588-1147,V694A](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  1.00E+4nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27582(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
Affinity DataKi: <1.00E+4nM ΔG°: <-29.7kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27581(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
Affinity DataKi: <1.00E+4nM ΔG°: <-29.7kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27580(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
Affinity DataKi: <1.00E+4nM ΔG°: <-29.7kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y776L]/[588-1147,Y776L](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM27581(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
Affinity DataKi: <1.00E+4nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y776L]/[588-1147,Y776L](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  1.80E+4nMAssay 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...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [588-1027,Y769I]/[588-1147,Y769I](Human immunodeficiency virus type 1)
Universita di Siena

LigandPNGBDBM1434(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)
Affinity DataKi:  3.60E+4nM ΔG°:  -26.4kJ/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair