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Found 12 hits Enz. Inhib. hit(s) with Target = 'HIV-1 Reverse Transcriptase Mutant (V106A)'   
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
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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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)
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+3n/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
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+4n/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
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2104
PNG
(13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2113
PNG
(13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12
Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-15(21(29)27(2)16-6-7-17(22)26-20(16)28)10-14(12-25-19)5-4-13-8-9-24-18(23)11-13/h6-12H,3-5H2,1-2H3,(H2,23,24)
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n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 228n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2096
PNG
(2,8-Substituted Dipyridodiazepinone 39 | 2-ethyl-5...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20FN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2021
PNG
(2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2022
PNG
(2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 41: 2960-71 (1998)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q28W3BH2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (V106A)


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 3.09E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair