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PubMed code 9685235

Compile data set for download or QSAR
Found 165 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
HIV-1 Reverse Transcriptase Mutant (G190A)


(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 10n/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 (K103N)


(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 10n/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 (K103N)


(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 10n/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 (K103N)


(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 20n/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


(Human immunodeficiency virus type 1)
BDBM2099
PNG
(2,8-Substituted Dipyridodiazepinone 42 | 2-ethyl-5...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H23FN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3
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n/an/a 20n/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


(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 20n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2099
PNG
(2,8-Substituted Dipyridodiazepinone 42 | 2-ethyl-5...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H23FN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3
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n/an/a 30n/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 (G190A)


(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 30n/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


(Human immunodeficiency virus type 1)
BDBM2081
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-3-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccnc3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-7-5-11-23-20(18)26)12-16(14-24-19)9-8-15-6-4-10-22-13-15/h4-7,10-14H,3,8-9H2,1-2H3
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n/an/a 30n/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


(Human immunodeficiency virus type 1)
BDBM2088
PNG
(2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-4-27-20-18(22(28)26(3)19-6-5-10-24-21(19)27)13-17(14-25-20)8-7-16-9-11-23-15(2)12-16/h5-6,9-14H,4,7-8H2,1-3H3
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n/an/a 30n/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 (G190A)


(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 30n/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 (P236L)


(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 40n/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


(Human immunodeficiency virus type 1)
BDBM2091
PNG
(13-[2-(3-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-8-5-11-24-21(19)27)13-16(14-25-20)10-9-15-6-4-7-17(23)12-15/h4-8,11-14H,3,9-10,23H2,1-2H3
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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


(Human immunodeficiency virus type 1)
BDBM2084
PNG
(2-ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3nccs3)cnc12
Show InChI InChI=1S/C19H19N5OS/c1-3-24-17-14(19(25)23(2)15-5-4-8-21-18(15)24)11-13(12-22-17)6-7-16-20-9-10-26-16/h4-5,8-12H,3,6-7H2,1-2H3
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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


(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 50n/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


(Human immunodeficiency virus type 1)
BDBM2080
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-5-4-10-23-20(18)26)13-16(14-24-19)7-6-15-8-11-22-12-9-15/h4-5,8-14H,3,6-7H2,1-2H3
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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


(Human immunodeficiency virus type 1)
BDBM2067
PNG
(2-ethyl-13-(hydroxymethyl)-9-methyl-2,4,9,15-tetra...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CO)cnc12
Show InChI InChI=1S/C15H16N4O2/c1-3-19-13-11(7-10(9-20)8-17-13)15(21)18(2)12-5-4-6-16-14(12)19/h4-8,20H,3,9H2,1-2H3
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n/an/a 50n/an/an/an/a7.822



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


(Human immunodeficiency virus type 1)
BDBM2112
PNG
(2,8-Substituted Dipyridodiazepinone 55 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(N)=O)cnc12
Show InChI InChI=1S/C22H21ClN6O2/c1-3-29-20-15(22(31)28(2)17-6-7-18(23)27-21(17)29)10-14(12-26-20)5-4-13-8-9-25-16(11-13)19(24)30/h6-12H,3-5H2,1-2H3,(H2,24,30)
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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


(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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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 (P236L)


(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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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 (K103N)


(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 50n/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


(Human immunodeficiency virus type 1)
BDBM2076
PNG
(2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetra...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H22N4O/c1-3-26-20-18(22(27)25(2)19-10-7-13-23-21(19)26)14-17(15-24-20)12-11-16-8-5-4-6-9-16/h4-10,13-15H,3,11-12H2,1-2H3
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n/an/a 50n/an/an/an/a7.822



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 (G190A)


(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 60n/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


(Human immunodeficiency virus type 1)
BDBM2090
PNG
(13-[2-(4-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-5-4-12-24-21(19)27)13-16(14-25-20)7-6-15-8-10-17(23)11-9-15/h4-5,8-14H,3,6-7,23H2,1-2H3
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n/an/a 60n/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


(Human immunodeficiency virus type 1)
BDBM2109
PNG
(2,8-Substituted Dipyridodiazepinone 52 | 5,11-Dihy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-4-28-20-17(22(29)27(3)18-7-8-19(23)26-21(18)28)12-16(13-25-20)6-5-15-9-10-24-14(2)11-15/h7-13H,4-6H2,1-3H3
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n/an/a 60n/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


(Human immunodeficiency virus type 1)
BDBM2105
PNG
(2,8-Substituted Dipyridodiazepinone 48 | [3-(2-{5-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NC(N)=O)c3)cnc12
Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-20-17(22(31)29(2)18-9-10-19(24)28-21(18)30)12-15(13-26-20)8-7-14-5-4-6-16(11-14)27-23(25)32/h4-6,9-13H,3,7-8H2,1-2H3,(H3,25,27,32)
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n/an/a 60n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2091
PNG
(13-[2-(3-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-8-5-11-24-21(19)27)13-16(14-25-20)10-9-15-6-4-7-17(23)12-15/h4-8,11-14H,3,9-10,23H2,1-2H3
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n/an/a 70n/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 (Y181C)


(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 70n/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


(Human immunodeficiency virus type 1)
BDBM2108
PNG
(13-[2-(3-azidophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(c3)N=[N+]=[N-])cnc12
Show InChI InChI=1S/C22H20ClN7O/c1-3-30-20-17(22(31)29(2)18-9-10-19(23)26-21(18)30)12-15(13-25-20)8-7-14-5-4-6-16(11-14)27-28-24/h4-6,9-13H,3,7-8H2,1-2H3
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n/an/a 80n/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


(Human immunodeficiency virus type 1)
BDBM2092
PNG
(13-[2-(2-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3N)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-17(22(28)26(2)19-9-6-12-24-21(19)27)13-15(14-25-20)10-11-16-7-4-5-8-18(16)23/h4-9,12-14H,3,10-11,23H2,1-2H3
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n/an/a 80n/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


(Human immunodeficiency virus type 1)
BDBM2089
PNG
(2-ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H24N4O/c1-3-30-24-22(26(31)29(2)23-9-6-14-27-25(23)30)16-19(17-28-24)11-10-18-12-13-20-7-4-5-8-21(20)15-18/h4-9,12-17H,3,10-11H2,1-2H3
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n/an/a 80n/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 (P236L)


(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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n/an/a 80n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2105
PNG
(2,8-Substituted Dipyridodiazepinone 48 | [3-(2-{5-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NC(N)=O)c3)cnc12
Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-20-17(22(31)29(2)18-9-10-19(24)28-21(18)30)12-15(13-26-20)8-7-14-5-4-6-16(11-14)27-23(25)32/h4-6,9-13H,3,7-8H2,1-2H3,(H3,25,27,32)
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n/an/a 80n/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


(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 80n/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 (Y181C)


(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 80n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2088
PNG
(2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-4-27-20-18(22(28)26(3)19-6-5-10-24-21(19)27)13-17(14-25-20)8-7-16-9-11-23-15(2)12-16/h5-6,9-14H,4,7-8H2,1-3H3
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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


(Human immunodeficiency virus type 1)
BDBM2097
PNG
(2,8-Substituted Dipyridodiazepinone 40 | 2-ethyl-5...)
Show SMILES CCN1c2nc(I)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20IN5O/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 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


(Human immunodeficiency virus type 1)
BDBM1518
PNG
(2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(6-4-8-15-12)14(19)17(2)11-7-5-9-16-13(11)18/h4-9H,3H2,1-2H3
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n/an/a 90n/an/an/an/a7.822



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


(Human immunodeficiency virus type 1)
BDBM2072
PNG
(8-Substituted Dipyridodiazepinone 13 | methyl 3-{2...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC(=O)OC)cnc12
Show InChI InChI=1S/C18H20N4O3/c1-4-22-16-13(10-12(11-20-16)7-8-15(23)25-3)18(24)21(2)14-6-5-9-19-17(14)22/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 90n/an/an/an/a7.822



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)
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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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


(Human immunodeficiency virus type 1)
BDBM2064
PNG
(13-amino-2-ethyl-9-methyl-2,4,9,15-tetraazatricycl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(N)cnc12
Show InChI InChI=1S/C14H15N5O/c1-3-19-12-10(7-9(15)8-17-12)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3,15H2,1-2H3
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n/an/a 100n/an/an/an/a7.822



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 (P236L)


(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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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


(Human immunodeficiency virus type 1)
BDBM2085
PNG
(2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-6-5-13-24-22(20)27)14-18(15-25-21)12-11-17-9-7-16(2)8-10-17/h5-10,13-15H,4,11-12H2,1-3H3
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n/an/a 100n/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 (P236L)


(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 110n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2081
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-3-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccnc3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-7-5-11-23-20(18)26)12-16(14-24-19)9-8-15-6-4-10-22-13-15/h4-7,10-14H,3,8-9H2,1-2H3
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n/an/a 110n/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


(Human immunodeficiency virus type 1)
BDBM2086
PNG
(2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-9-6-12-24-22(20)27)14-18(15-25-21)11-10-17-8-5-7-16(2)13-17/h5-9,12-15H,4,10-11H2,1-3H3
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n/an/a 110n/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


(Human immunodeficiency virus type 1)
BDBM2101
PNG
(2,8-Substituted Dipyridodiazepinone 44 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-10-11-20(24)26-22(19)28)13-17(14-25-21)9-8-16-7-5-6-15(2)12-16/h5-7,10-14H,4,8-9H2,1-3H3
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n/an/a 110n/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 (Y181C)


(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 120n/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


(Human immunodeficiency virus type 1)
BDBM2093
PNG
(2-ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(F)c3)cnc12
Show InChI InChI=1S/C22H21FN4O/c1-3-27-20-18(22(28)26(2)19-8-5-11-24-21(19)27)13-16(14-25-20)10-9-15-6-4-7-17(23)12-15/h4-8,11-14H,3,9-10H2,1-2H3
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n/an/a 120n/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


(Human immunodeficiency virus type 1)
BDBM2074
PNG
(13-benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(Cc3ccccc3)cnc12
Show InChI InChI=1S/C21H20N4O/c1-3-25-19-17(21(26)24(2)18-10-7-11-22-20(18)25)13-16(14-23-19)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3
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n/an/a 120n/an/an/an/a7.822



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 (K103N)


(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 120n/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


(Human immunodeficiency virus type 1)
BDBM2077
PNG
(2-ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetr...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCCc3ccccc3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-3-27-21-19(23(28)26(2)20-13-8-14-24-22(20)27)15-18(16-25-21)12-7-11-17-9-5-4-6-10-17/h4-6,8-10,13-16H,3,7,11-12H2,1-2H3
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n/an/a 120n/an/an/an/a7.822



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 (G190A)


(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 120n/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


(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 120n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2076
PNG
(2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetra...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
Show InChI InChI=1S/C22H22N4O/c1-3-26-20-18(22(27)25(2)19-10-7-13-23-21(19)26)14-17(15-24-20)12-11-16-8-5-4-6-9-16/h4-10,13-15H,3,11-12H2,1-2H3
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n/an/a 130n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2080
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-5-4-10-23-20(18)26)13-16(14-24-19)7-6-15-8-11-22-12-9-15/h4-5,8-14H,3,6-7H2,1-2H3
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n/an/a 130n/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


(Human immunodeficiency virus type 1)
BDBM2107
PNG
(2,8-Substituted Dipyridodiazepinone 50 | N-[3-(2-{...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NS(C)(=O)=O)c3)cnc12
Show InChI InChI=1S/C23H24ClN5O3S/c1-4-29-21-18(23(30)28(2)19-10-11-20(24)26-22(19)29)13-16(14-25-21)9-8-15-6-5-7-17(12-15)27-33(3,31)32/h5-7,10-14,27H,4,8-9H2,1-3H3
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n/an/a 140n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2072
PNG
(8-Substituted Dipyridodiazepinone 13 | methyl 3-{2...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC(=O)OC)cnc12
Show InChI InChI=1S/C18H20N4O3/c1-4-22-16-13(10-12(11-20-16)7-8-15(23)25-3)18(24)21(2)14-6-5-9-19-17(14)22/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 140n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2107
PNG
(2,8-Substituted Dipyridodiazepinone 50 | N-[3-(2-{...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NS(C)(=O)=O)c3)cnc12
Show InChI InChI=1S/C23H24ClN5O3S/c1-4-29-21-18(23(30)28(2)19-10-11-20(24)26-22(19)29)13-16(14-25-21)9-8-15-6-5-7-17(12-15)27-33(3,31)32/h5-7,10-14,27H,4,8-9H2,1-3H3
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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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2109
PNG
(2,8-Substituted Dipyridodiazepinone 52 | 5,11-Dihy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-4-28-20-17(22(29)27(3)18-7-8-19(23)26-21(18)28)12-16(13-25-20)6-5-15-9-10-24-14(2)11-15/h7-13H,4-6H2,1-3H3
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n/an/a 140n/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


(Human immunodeficiency virus type 1)
BDBM2111
PNG
(2,8-Substituted Dipyridodiazepinone 54 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(=O)OC)cnc12
Show InChI InChI=1S/C23H22ClN5O3/c1-4-29-20-16(22(30)28(2)18-7-8-19(24)27-21(18)29)11-15(13-26-20)6-5-14-9-10-25-17(12-14)23(31)32-3/h7-13H,4-6H2,1-3H3
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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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2089
PNG
(2-ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H24N4O/c1-3-30-24-22(26(31)29(2)23-9-6-14-27-25(23)30)16-19(17-28-24)11-10-18-12-13-20-7-4-5-8-21(20)15-18/h4-9,12-17H,3,10-11H2,1-2H3
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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 (Y181C)


(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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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


(Human immunodeficiency virus type 1)
BDBM2103
PNG
(13-[2-(4-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-10-11-19(23)26-21(18)28)12-15(13-25-20)5-4-14-6-8-16(24)9-7-14/h6-13H,3-5,24H2,1-2H3
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n/an/a 160n/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 (Y188L)


(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 160n/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


(Human immunodeficiency virus type 1)
BDBM2110
PNG
(2,8-Substituted Dipyridodiazepinone 53 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(CO)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-3-28-20-17(22(30)27(2)18-6-7-19(23)26-21(18)28)11-15(12-25-20)5-4-14-8-9-24-16(10-14)13-29/h6-12,29H,3-5,13H2,1-2H3
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n/an/a 160n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2108
PNG
(13-[2-(3-azidophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(c3)N=[N+]=[N-])cnc12
Show InChI InChI=1S/C22H20ClN7O/c1-3-30-20-17(22(31)29(2)18-9-10-19(23)26-21(18)30)12-15(13-25-20)8-7-14-5-4-6-16(11-14)27-28-24/h4-6,9-13H,3,7-8H2,1-2H3
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n/an/a 160n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2097
PNG
(2,8-Substituted Dipyridodiazepinone 40 | 2-ethyl-5...)
Show SMILES CCN1c2nc(I)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20IN5O/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 180n/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


(Human immunodeficiency virus type 1)
BDBM2082
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccn3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-8-6-12-23-20(18)26)13-15(14-24-19)9-10-16-7-4-5-11-22-16/h4-8,11-14H,3,9-10H2,1-2H3
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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)
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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2090
PNG
(13-[2-(4-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-5-4-12-24-21(19)27)13-16(14-25-20)7-6-15-8-10-17(23)11-9-15/h4-5,8-14H,3,6-7,23H2,1-2H3
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n/an/a 200n/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


(Human immunodeficiency virus type 1)
BDBM2087
PNG
(2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-10-7-13-24-22(20)27)14-17(15-25-21)11-12-18-9-6-5-8-16(18)2/h5-10,13-15H,4,11-12H2,1-3H3
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n/an/a 200n/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


(Human immunodeficiency virus type 1)
BDBM2070
PNG
(3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC#N)cnc12
Show InChI InChI=1S/C17H17N5O/c1-3-22-15-13(10-12(11-20-15)6-4-8-18)17(23)21(2)14-7-5-9-19-16(14)22/h5,7,9-11H,3-4,6H2,1-2H3
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n/an/a 210n/an/an/an/a7.822



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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2105
PNG
(2,8-Substituted Dipyridodiazepinone 48 | [3-(2-{5-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NC(N)=O)c3)cnc12
Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-20-17(22(31)29(2)18-9-10-19(24)28-21(18)30)12-15(13-26-20)8-7-14-5-4-6-16(11-14)27-23(25)32/h4-6,9-13H,3,7-8H2,1-2H3,(H3,25,27,32)
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n/an/a 230n/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 (Y181C)


(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 230n/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


(Human immunodeficiency virus type 1)
BDBM2100
PNG
(2,8-Substituted Dipyridodiazepinone 43 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-11-12-20(24)26-22(19)28)13-17(14-25-21)10-9-16-7-5-15(2)6-8-16/h5-8,11-14H,4,9-10H2,1-3H3
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n/an/a 230n/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 (Y188L)


(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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2112
PNG
(2,8-Substituted Dipyridodiazepinone 55 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(N)=O)cnc12
Show InChI InChI=1S/C22H21ClN6O2/c1-3-29-20-15(22(31)28(2)17-6-7-18(23)27-21(17)29)10-14(12-26-20)5-4-13-8-9-25-16(11-13)19(24)30/h6-12H,3-5H2,1-2H3,(H2,24,30)
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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)
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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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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2085
PNG
(2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-6-5-13-24-22(20)27)14-18(15-25-21)12-11-17-9-7-16(2)8-10-17/h5-10,13-15H,4,11-12H2,1-3H3
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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 (Y188L)


(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 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


(Human immunodeficiency virus type 1)
BDBM2078
PNG
(2-ethyl-9-methyl-13-[(Z)-2-phenylethenyl]-2,4,9,15...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(\C=C/c3ccccc3)cnc12
Show InChI InChI=1S/C22H20N4O/c1-3-26-20-18(22(27)25(2)19-10-7-13-23-21(19)26)14-17(15-24-20)12-11-16-8-5-4-6-9-16/h4-15H,3H2,1-2H3/b12-11-
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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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2110
PNG
(2,8-Substituted Dipyridodiazepinone 53 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(CO)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-3-28-20-17(22(30)27(2)18-6-7-19(23)26-21(18)28)11-15(12-25-20)5-4-14-8-9-24-16(10-14)13-29/h6-12,29H,3-5,13H2,1-2H3
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n/an/a 280n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2086
PNG
(2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-9-6-12-24-22(20)27)14-18(15-25-21)11-10-17-8-5-7-16(2)13-17/h5-9,12-15H,4,10-11H2,1-3H3
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n/an/a 280n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2095
PNG
(2,8-Disubstituted Dipyridodiazepinone 38 | 2,8-sub...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12)C#N
Show InChI InChI=1S/C22H20N6O/c1-3-28-20-18(12-16(14-25-20)5-4-15-8-10-24-11-9-15)22(29)27(2)19-7-6-17(13-23)26-21(19)28/h6-12,14H,3-5H2,1-2H3
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n/an/a 290n/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


(Human immunodeficiency virus type 1)
BDBM2069
PNG
(2-ethyl-13-(3-hydroxypropyl)-9-methyl-2,4,9,15-tet...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCCO)cnc12
Show InChI InChI=1S/C17H20N4O2/c1-3-21-15-13(10-12(11-19-15)6-5-9-22)17(23)20(2)14-7-4-8-18-16(14)21/h4,7-8,10-11,22H,3,5-6,9H2,1-2H3
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n/an/a 300n/an/an/an/a7.822



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


(Human immunodeficiency virus type 1)
BDBM2106
PNG
(2,8-Substituted Dipyridodiazepinone 49 | N-[4-(2-{...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(NS(C)(=O)=O)cc3)cnc12
Show InChI InChI=1S/C23H24ClN5O3S/c1-4-29-21-18(23(30)28(2)19-11-12-20(24)26-22(19)29)13-16(14-25-21)6-5-15-7-9-17(10-8-15)27-33(3,31)32/h7-14,27H,4-6H2,1-3H3
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n/an/a 330n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2103
PNG
(13-[2-(4-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-10-11-19(23)26-21(18)28)12-15(13-25-20)5-4-14-6-8-16(24)9-7-14/h6-13H,3-5,24H2,1-2H3
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n/an/a 360n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2093
PNG
(2-ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(F)c3)cnc12
Show InChI InChI=1S/C22H21FN4O/c1-3-27-20-18(22(28)26(2)19-8-5-11-24-21(19)27)13-16(14-25-20)10-9-15-6-4-7-17(23)12-15/h4-8,11-14H,3,9-10H2,1-2H3
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n/an/a 370n/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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2097
PNG
(2,8-Substituted Dipyridodiazepinone 40 | 2-ethyl-5...)
Show SMILES CCN1c2nc(I)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H20IN5O/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 430n/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


(Human immunodeficiency virus type 1)
BDBM2068
PNG
(2-ethyl-13-(2-hydroxyethyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCO)cnc12
Show InChI InChI=1S/C16H18N4O2/c1-3-20-14-12(9-11(6-8-21)10-18-14)16(22)19(2)13-5-4-7-17-15(13)20/h4-5,7,9-10,21H,3,6,8H2,1-2H3
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n/an/a 430n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2084
PNG
(2-ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3nccs3)cnc12
Show InChI InChI=1S/C19H19N5OS/c1-3-24-17-14(19(25)23(2)15-5-4-8-21-18(15)24)11-13(12-22-17)6-7-16-20-9-10-26-16/h4-5,8-12H,3,6-7H2,1-2H3
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n/an/a 440n/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


(Human immunodeficiency virus type 1)
BDBM2095
PNG
(2,8-Disubstituted Dipyridodiazepinone 38 | 2,8-sub...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12)C#N
Show InChI InChI=1S/C22H20N6O/c1-3-28-20-18(12-16(14-25-20)5-4-15-8-10-24-11-9-15)22(29)27(2)19-7-6-17(13-23)26-21(19)28/h6-12,14H,3-5H2,1-2H3
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n/an/a 460n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2101
PNG
(2,8-Substituted Dipyridodiazepinone 44 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-10-11-20(24)26-22(19)28)13-17(14-25-21)9-8-16-7-5-6-15(2)12-16/h5-7,10-14H,4,8-9H2,1-3H3
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n/an/a 460n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2111
PNG
(2,8-Substituted Dipyridodiazepinone 54 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(=O)OC)cnc12
Show InChI InChI=1S/C23H22ClN5O3/c1-4-29-20-16(22(30)28(2)18-7-8-19(24)27-21(18)29)11-15(13-26-20)6-5-14-9-10-25-17(12-14)23(31)32-3/h7-13H,4-6H2,1-3H3
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n/an/a 480n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2094
PNG
(2,8-Disubstituted Dipyridodiazepinone 35 | 2,8-sub...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12)-c1ccc[nH]1
Show InChI InChI=1S/C26H25N5O/c1-3-31-24-20(16-19(17-28-24)12-11-18-8-5-4-6-9-18)26(32)30(2)23-14-13-22(29-25(23)31)21-10-7-15-27-21/h4-10,13-17,27H,3,11-12H2,1-2H3
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n/an/a 520n/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


(Human immunodeficiency virus type 1)
BDBM2063
PNG
(13-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(Cl)cnc12
Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-10(7-9(15)8-17-12)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3H2,1-2H3
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n/an/a 540n/an/an/an/a7.822



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


(Human immunodeficiency virus type 1)
BDBM2083
PNG
(2-ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cncnc3)cnc12
Show InChI InChI=1S/C20H20N6O/c1-3-26-18-16(20(27)25(2)17-5-4-8-23-19(17)26)9-14(12-24-18)6-7-15-10-21-13-22-11-15/h4-5,8-13H,3,6-7H2,1-2H3
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n/an/a 540n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2106
PNG
(2,8-Substituted Dipyridodiazepinone 49 | N-[4-(2-{...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(NS(C)(=O)=O)cc3)cnc12
Show InChI InChI=1S/C23H24ClN5O3S/c1-4-29-21-18(23(30)28(2)19-11-12-20(24)26-22(19)29)13-16(14-25-21)6-5-15-7-9-17(10-8-15)27-33(3,31)32/h7-14,27H,4-6H2,1-3H3
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n/an/a 560n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2078
PNG
(2-ethyl-9-methyl-13-[(Z)-2-phenylethenyl]-2,4,9,15...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(\C=C/c3ccccc3)cnc12
Show InChI InChI=1S/C22H20N4O/c1-3-26-20-18(22(27)25(2)19-10-7-13-23-21(19)26)14-17(15-24-20)12-11-16-8-5-4-6-9-16/h4-15H,3H2,1-2H3/b12-11-
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n/an/a 580n/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


(Human immunodeficiency virus type 1)
BDBM2094
PNG
(2,8-Disubstituted Dipyridodiazepinone 35 | 2,8-sub...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12)-c1ccc[nH]1
Show InChI InChI=1S/C26H25N5O/c1-3-31-24-20(16-19(17-28-24)12-11-18-8-5-4-6-9-18)26(32)30(2)23-14-13-22(29-25(23)31)21-10-7-15-27-21/h4-10,13-17,27H,3,11-12H2,1-2H3
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n/an/a 590n/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


(Human immunodeficiency virus type 1)
BDBM2071
PNG
(3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC(N)=O)cnc12
Show InChI InChI=1S/C17H19N5O2/c1-3-22-15-12(9-11(10-20-15)6-7-14(18)23)17(24)21(2)13-5-4-8-19-16(13)22/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,23)
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n/an/a 620n/an/an/an/a7.822



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 (P236L)


(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 710n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2067
PNG
(2-ethyl-13-(hydroxymethyl)-9-methyl-2,4,9,15-tetra...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CO)cnc12
Show InChI InChI=1S/C15H16N4O2/c1-3-19-13-11(7-10(9-20)8-17-13)15(21)18(2)12-5-4-6-16-14(12)19/h4-8,20H,3,9H2,1-2H3
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n/an/a 740n/an/an/an/a7.822



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


(Human immunodeficiency virus type 1)
BDBM2062
PNG
(2-ethyl-9,13-dimethyl-2,4,9,15-tetraazatricyclo[9....)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(C)cnc12
Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(8-10(2)9-17-13)15(20)18(3)12-6-5-7-16-14(12)19/h5-9H,4H2,1-3H3
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n/an/a 750n/an/an/an/a7.822



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 (Y188L)


(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 960n/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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2079
PNG
(2-ethyl-9-methyl-13-[(E)-2-(pyridin-4-yl)ethenyl]-...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(\C=C\c3ccncc3)cnc12
Show InChI InChI=1S/C21H19N5O/c1-3-26-19-17(21(27)25(2)18-5-4-10-23-20(18)26)13-16(14-24-19)7-6-15-8-11-22-12-9-15/h4-14H,3H2,1-2H3/b7-6+
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2082
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccn3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-8-6-12-23-20(18)26)13-15(14-24-19)9-10-16-7-4-5-11-22-16/h4-8,11-14H,3,9-10H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2092
PNG
(13-[2-(2-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3N)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-17(22(28)26(2)19-9-6-12-24-21(19)27)13-15(14-25-20)10-11-16-7-4-5-8-18(16)23/h4-9,12-14H,3,10-11,23H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2095
PNG
(2,8-Disubstituted Dipyridodiazepinone 38 | 2,8-sub...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12)C#N
Show InChI InChI=1S/C22H20N6O/c1-3-28-20-18(12-16(14-25-20)5-4-15-8-10-24-11-9-15)22(29)27(2)19-7-6-17(13-23)26-21(19)28/h6-12,14H,3-5H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2101
PNG
(2,8-Substituted Dipyridodiazepinone 44 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-10-11-20(24)26-22(19)28)13-17(14-25-21)9-8-16-7-5-6-15(2)12-16/h5-7,10-14H,4,8-9H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2106
PNG
(2,8-Substituted Dipyridodiazepinone 49 | N-[4-(2-{...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(NS(C)(=O)=O)cc3)cnc12
Show InChI InChI=1S/C23H24ClN5O3S/c1-4-29-21-18(23(30)28(2)19-11-12-20(24)26-22(19)29)13-16(14-25-21)6-5-15-7-9-17(10-8-15)27-33(3,31)32/h7-14,27H,4-6H2,1-3H3
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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 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


(Human immunodeficiency virus type 1)
BDBM2073
PNG
(8-Substituted Dipyridodiazepinone 14 | methyl (2E)...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(\C=C\C(=O)OC)cnc12
Show InChI InChI=1S/C18H18N4O3/c1-4-22-16-13(10-12(11-20-16)7-8-15(23)25-3)18(24)21(2)14-6-5-9-19-17(14)22/h5-11H,4H2,1-3H3/b8-7+
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n/an/a>1.00E+3n/an/an/an/a7.822



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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2090
PNG
(13-[2-(4-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-5-4-12-24-21(19)27)13-16(14-25-20)7-6-15-8-10-17(23)11-9-15/h4-5,8-14H,3,6-7,23H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2091
PNG
(13-[2-(3-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-18(22(28)26(2)19-8-5-11-24-21(19)27)13-16(14-25-20)10-9-15-6-4-7-17(23)12-15/h4-8,11-14H,3,9-10,23H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2109
PNG
(2,8-Substituted Dipyridodiazepinone 52 | 5,11-Dihy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-4-28-20-17(22(29)27(3)18-7-8-19(23)26-21(18)28)12-16(13-25-20)6-5-15-9-10-24-14(2)11-15/h7-13H,4-6H2,1-3H3
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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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2063
PNG
(13-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(Cl)cnc12
Show InChI InChI=1S/C14H13ClN4O/c1-3-19-12-10(7-9(15)8-17-12)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2082
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccn3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-8-6-12-23-20(18)26)13-15(14-24-19)9-10-16-7-4-5-11-22-16/h4-8,11-14H,3,9-10H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2085
PNG
(2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-6-5-13-24-22(20)27)14-18(15-25-21)12-11-17-9-7-16(2)8-10-17/h5-10,13-15H,4,11-12H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2087
PNG
(2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-10-7-13-24-22(20)27)14-17(15-25-21)11-12-18-9-6-5-8-16(18)2/h5-10,13-15H,4,11-12H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2088
PNG
(2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C22H23N5O/c1-4-27-20-18(22(28)26(3)19-6-5-10-24-21(19)27)13-17(14-25-20)8-7-16-9-11-23-15(2)12-16/h5-6,9-14H,4,7-8H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2110
PNG
(2,8-Substituted Dipyridodiazepinone 53 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(CO)c3)cnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-3-28-20-17(22(30)27(2)18-6-7-19(23)26-21(18)28)11-15(12-25-20)5-4-14-8-9-24-16(10-14)13-29/h6-12,29H,3-5,13H2,1-2H3
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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 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


(Human immunodeficiency virus type 1)
BDBM2066
PNG
(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(cnc12)C(O)=O
Show InChI InChI=1S/C15H14N4O3/c1-3-19-12-10(7-9(8-17-12)15(21)22)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3H2,1-2H3,(H,21,22)
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n/an/a>1.00E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2075
PNG
(2-ethyl-13-(3-methoxyphenyl)-9-methyl-2,4,9,15-tet...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(cnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H20N4O2/c1-4-25-19-17(21(26)24(2)18-9-6-10-22-20(18)25)12-15(13-23-19)14-7-5-8-16(11-14)27-3/h5-13H,4H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2083
PNG
(2-ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cncnc3)cnc12
Show InChI InChI=1S/C20H20N6O/c1-3-26-18-16(20(27)25(2)17-5-4-8-23-19(17)26)9-14(12-24-18)6-7-15-10-21-13-22-11-15/h4-5,8-13H,3,6-7H2,1-2H3
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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 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


(Human immunodeficiency virus type 1)
BDBM2075
PNG
(2-ethyl-13-(3-methoxyphenyl)-9-methyl-2,4,9,15-tet...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(cnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H20N4O2/c1-4-25-19-17(21(26)24(2)18-9-6-10-22-20(18)25)12-15(13-23-19)14-7-5-8-16(11-14)27-3/h5-13H,4H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/a7.822



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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2081
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-3-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccnc3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-7-5-11-23-20(18)26)12-16(14-24-19)9-8-15-6-4-10-22-13-15/h4-7,10-14H,3,8-9H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2099
PNG
(2,8-Substituted Dipyridodiazepinone 42 | 2-ethyl-5...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H23FN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2100
PNG
(2,8-Substituted Dipyridodiazepinone 43 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-11-12-20(24)26-22(19)28)13-17(14-25-21)10-9-16-7-5-15(2)6-8-16/h5-8,11-14H,4,9-10H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2108
PNG
(13-[2-(3-azidophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(c3)N=[N+]=[N-])cnc12
Show InChI InChI=1S/C22H20ClN7O/c1-3-30-20-17(22(31)29(2)18-9-10-19(23)26-21(18)30)12-15(13-25-20)8-7-14-5-4-6-16(11-14)27-28-24/h4-6,9-13H,3,7-8H2,1-2H3
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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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2062
PNG
(2-ethyl-9,13-dimethyl-2,4,9,15-tetraazatricyclo[9....)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(C)cnc12
Show InChI InChI=1S/C15H16N4O/c1-4-19-13-11(8-10(2)9-17-13)15(20)18(3)12-6-5-7-16-14(12)19/h5-9H,4H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/a7.822



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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2084
PNG
(2-ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3nccs3)cnc12
Show InChI InChI=1S/C19H19N5OS/c1-3-24-17-14(19(25)23(2)15-5-4-8-21-18(15)24)11-13(12-22-17)6-7-16-20-9-10-26-16/h4-5,8-12H,3,6-7H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2098
PNG
(2,8-Substituted Dipyridodiazepinone 41 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H23ClN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3
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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 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


(Human immunodeficiency virus type 1)
BDBM2102
PNG
(2,8-Substituted Dipyridodiazepinone 45 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-11-12-20(24)26-22(19)28)13-16(14-25-21)9-10-17-8-6-5-7-15(17)2/h5-8,11-14H,4,9-10H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2102
PNG
(2,8-Substituted Dipyridodiazepinone 45 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-11-12-20(24)26-22(19)28)13-16(14-25-21)9-10-17-8-6-5-7-15(17)2/h5-8,11-14H,4,9-10H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2114
PNG
(2,8-Substituted Dipyridodiazepinone 57 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H20ClN5O3/c1-3-28-19-15(21(29)27(2)17-6-7-18(23)26-20(17)28)10-14(12-25-19)5-4-13-8-9-24-16(11-13)22(30)31/h6-12H,3-5H2,1-2H3,(H,30,31)
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2080
PNG
(2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
Show InChI InChI=1S/C21H21N5O/c1-3-26-19-17(21(27)25(2)18-5-4-10-23-20(18)26)13-16(14-24-19)7-6-15-8-11-22-12-9-15/h4-5,8-14H,3,6-7H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2083
PNG
(2-ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cncnc3)cnc12
Show InChI InChI=1S/C20H20N6O/c1-3-26-18-16(20(27)25(2)17-5-4-8-23-19(17)26)9-14(12-24-18)6-7-15-10-21-13-22-11-15/h4-5,8-13H,3,6-7H2,1-2H3
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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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2086
PNG
(2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-9-6-12-24-22(20)27)14-18(15-25-21)11-10-17-8-5-7-16(2)13-17/h5-9,12-15H,4,10-11H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2089
PNG
(2-ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H24N4O/c1-3-30-24-22(26(31)29(2)23-9-6-14-27-25(23)30)16-19(17-28-24)11-10-18-12-13-20-7-4-5-8-21(20)15-18/h4-9,12-17H,3,10-11H2,1-2H3
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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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2102
PNG
(2,8-Substituted Dipyridodiazepinone 45 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-11-12-20(24)26-22(19)28)13-16(14-25-21)9-10-17-8-6-5-7-15(17)2/h5-8,11-14H,4,9-10H2,1-3H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2103
PNG
(13-[2-(4-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-10-11-19(23)26-21(18)28)12-15(13-25-20)5-4-14-6-8-16(24)9-7-14/h6-13H,3-5,24H2,1-2H3
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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 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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2107
PNG
(2,8-Substituted Dipyridodiazepinone 50 | N-[3-(2-{...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NS(C)(=O)=O)c3)cnc12
Show InChI InChI=1S/C23H24ClN5O3S/c1-4-29-21-18(23(30)28(2)19-10-11-20(24)26-22(19)29)13-16(14-25-21)9-8-15-6-5-7-17(12-15)27-33(3,31)32/h5-7,10-14,27H,4,8-9H2,1-3H3
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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


(Human immunodeficiency virus type 1)
BDBM2098
PNG
(2,8-Substituted Dipyridodiazepinone 41 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H23ClN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3
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n/an/a 1.02E+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 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


(Human immunodeficiency virus type 1)
BDBM2065
PNG
(8-Substituted Dipyridodiazepinone 6 | {2-ethyl-9-m...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(NC(N)=O)cnc12
Show InChI InChI=1S/C15H16N6O2/c1-3-21-12-10(7-9(8-18-12)19-15(16)23)14(22)20(2)11-5-4-6-17-13(11)21/h4-8H,3H2,1-2H3,(H3,16,19,23)
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n/an/a 1.10E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2077
PNG
(2-ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetr...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCCc3ccccc3)cnc12
Show InChI InChI=1S/C23H24N4O/c1-3-27-21-19(23(28)26(2)20-13-8-14-24-22(20)27)15-18(16-25-21)12-7-11-17-9-5-4-6-10-17/h4-6,8-10,13-16H,3,7,11-12H2,1-2H3
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n/an/a 1.17E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2100
PNG
(2,8-Substituted Dipyridodiazepinone 43 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
Show InChI InChI=1S/C23H23ClN4O/c1-4-28-21-18(23(29)27(3)19-11-12-20(24)26-22(19)28)13-17(14-25-21)10-9-16-7-5-15(2)6-8-16/h5-8,11-14H,4,9-10H2,1-3H3
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n/an/a 1.18E+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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2074
PNG
(13-benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(Cc3ccccc3)cnc12
Show InChI InChI=1S/C21H20N4O/c1-3-25-19-17(21(26)24(2)18-10-7-11-22-20(18)25)13-16(14-23-19)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/a7.822



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 (Y188L)


(Human immunodeficiency virus type 1)
BDBM2094
PNG
(2,8-Disubstituted Dipyridodiazepinone 35 | 2,8-sub...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12)-c1ccc[nH]1
Show InChI InChI=1S/C26H25N5O/c1-3-31-24-20(16-19(17-28-24)12-11-18-8-5-4-6-9-18)26(32)30(2)23-14-13-22(29-25(23)31)21-10-7-15-27-21/h4-10,13-17,27H,3,11-12H2,1-2H3
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n/an/a 1.28E+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 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


(Human immunodeficiency virus type 1)
BDBM2114
PNG
(2,8-Substituted Dipyridodiazepinone 57 | 2-Chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H20ClN5O3/c1-3-28-19-15(21(29)27(2)17-6-7-18(23)26-20(17)28)10-14(12-25-19)5-4-13-8-9-24-16(11-13)22(30)31/h6-12H,3-5H2,1-2H3,(H,30,31)
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n/an/a 1.50E+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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2087
PNG
(2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
Show InChI InChI=1S/C23H24N4O/c1-4-27-21-19(23(28)26(3)20-10-7-13-24-22(20)27)14-17(15-25-21)11-12-18-9-6-5-8-16(18)2/h5-10,13-15H,4,11-12H2,1-3H3
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n/an/a 1.60E+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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2092
PNG
(13-[2-(2-aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3N)cnc12
Show InChI InChI=1S/C22H23N5O/c1-3-27-20-17(22(28)26(2)19-9-6-12-24-21(19)27)13-15(14-25-20)10-11-16-7-4-5-8-18(16)23/h4-9,12-14H,3,10-11,23H2,1-2H3
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n/an/a 1.70E+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 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 (Y188L)


(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 1.85E+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 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 (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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n/an/a 1.90E+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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2070
PNG
(3-{2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyc...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCC#N)cnc12
Show InChI InChI=1S/C17H17N5O/c1-3-22-15-13(10-12(11-20-15)6-4-8-18)17(23)21(2)14-7-5-9-19-16(14)22/h5,7,9-11H,3-4,6H2,1-2H3
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n/an/a 2.16E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2068
PNG
(2-ethyl-13-(2-hydroxyethyl)-9-methyl-2,4,9,15-tetr...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCO)cnc12
Show InChI InChI=1S/C16H18N4O2/c1-3-20-14-12(9-11(6-8-21)10-18-14)16(22)19(2)13-5-4-7-17-15(13)20/h4-5,7,9-10,21H,3,6,8H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/a7.822



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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2098
PNG
(2,8-Substituted Dipyridodiazepinone 41 | 5-chloro-...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
Show InChI InChI=1S/C26H23ClN4O/c1-3-31-24-21(26(32)30(2)22-12-13-23(27)29-25(22)31)15-18(16-28-24)9-8-17-10-11-19-6-4-5-7-20(19)14-17/h4-7,10-16H,3,8-9H2,1-2H3
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n/an/a 2.88E+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 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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM2069
PNG
(2-ethyl-13-(3-hydroxypropyl)-9-methyl-2,4,9,15-tet...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCCO)cnc12
Show InChI InChI=1S/C17H20N4O2/c1-3-21-15-13(10-12(11-19-15)6-5-9-22)17(23)20(2)14-7-4-8-18-16(14)21/h4,7-8,10-11,22H,3,5-6,9H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/a7.822



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


(Human immunodeficiency virus type 1)<