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Compile Data Set for Download or QSAR

Found 118 hits of ph data with Target = 'HIV-1 Reverse Transcriptase Mutant (Y181C)'   
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 (Y181C)


(Human immunodeficiency virus type 1)
BDBM16189
PNG
(4-(3-Iodophenyl)-3-oxobutanenitrile | beta-ketonit...)
Show SMILES Ic1cccc(CC(=O)CC#N)c1
Show InChI InChI=1S/C10H8INO/c11-9-3-1-2-8(6-9)7-10(13)4-5-12/h1-3,6H,4,7H2
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n/an/a 9.90E+3n/an/an/an/a7.537



Bar Ilan University



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 50: 2370-84 (2007)


Article DOI: 10.1021/jm0613121
BindingDB Entry DOI: 10.7270/Q2VM49J0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM16196
PNG
(4-(3-Bromo-4-chlorophenyl)-1H-imidazole-5-carboxam...)
Show SMILES NC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15)
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n/an/a 2.64E+4n/an/an/an/a7.537



Bar Ilan University



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 50: 2370-84 (2007)


Article DOI: 10.1021/jm0613121
BindingDB Entry DOI: 10.7270/Q2VM49J0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1553
PNG
(2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3
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n/an/a 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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2014
PNG
(2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3
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n/an/a 28n/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2015
PNG
(2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3
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n/an/a 230n/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2016
PNG
(2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C22H18FN5O/c1-3-28-20-14(5-4-10-24-20)22(29)27(2)19-9-8-18(26-21(19)28)16-12-25-17-7-6-13(23)11-15(16)17/h4-12,25H,3H2,1-2H3
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n/an/a 555n/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2017
PNG
(2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3
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n/an/an/an/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2018
PNG
(2-(5-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccncc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(5-4-9-23-19)21(28)26(2)18-7-6-17(25-20(18)27)15-12-24-16-8-10-22-11-14(15)16/h4-12,24H,3H2,1-2H3
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n/an/a 222n/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a 98n/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2020
PNG
(2-(7-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(7-5-11-23-19)21(28)26(2)17-9-8-16(25-20(17)27)15-12-24-18-13(15)6-4-10-22-18/h4-12H,3H2,1-2H3,(H,22,24)
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n/an/a 200n/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 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (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/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
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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n/an/a 150n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2023
PNG
(13-(benzylamino)-5-chloro-2-ethyl-9-methyl-2,4,9,1...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(NCc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-15(13-24-19)23-12-14-7-5-4-6-8-14/h4-11,13,23H,3,12H2,1-2H3
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n/an/a 390n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2024
PNG
(2,8-disubstituted dipyridodiazepinone 2 | 5-chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-9-10-18(22)25-20(17)27)11-14(13-24-19)12-23-15-7-5-4-6-8-15/h4-11,13,23H,3,12H2,1-2H3
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n/an/a 370n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2025
PNG
(2,8-disubstituted dipyridodiazepinone 4 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
Show InChI InChI=1S/C21H19ClN4O2/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-28-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
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n/an/a 60n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2028
PNG
(13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-16(21(29)27(2)17-7-8-18(22)26-20(17)28)9-13(12-25-19)11-24-15-6-4-5-14(23)10-15/h4-10,12,24H,3,11,23H2,1-2H3
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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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2029
PNG
(2,8-disubstituted dipyridodiazepinone 9 | 2-Chloro...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-14(21(28)25(2)15-8-9-18(22)24-20(15)26)10-13(11-23-19)12-29-17-7-5-4-6-16(17)27/h4-11,27H,3,12H2,1-2H3
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n/an/a 350n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2030
PNG
(2,8-disubstituted dipyridodiazepinone 10 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(O)c3)cnc12
Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-29-15-6-4-5-14(27)10-15/h4-11,27H,3,12H2,1-2H3
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n/an/a 250n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2032
PNG
(2,8-disubstituted dipyridodiazepinone 12 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3F)cnc12
Show InChI InChI=1S/C21H18ClFN4O2/c1-3-27-19-14(21(28)26(2)16-8-9-18(22)25-20(16)27)10-13(11-24-19)12-29-17-7-5-4-6-15(17)23/h4-11H,3,12H2,1-2H3
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n/an/a 570n/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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2033
PNG
(2,8-disubstituted dipyridodiazepinone 14 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(F)cc3)cnc12
Show InChI InChI=1S/C21H18ClFN4O2/c1-3-27-19-16(21(28)26(2)17-8-9-18(22)25-20(17)27)10-13(11-24-19)12-29-15-6-4-14(23)5-7-15/h4-11H,3,12H2,1-2H3
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n/an/a 1.66E+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: 2972-84 (1998)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2J964K7
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2036
PNG
(2,8-disubstituted dipyridodiazepinone 18 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
Show InChI InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
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n/an/a 550n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2037
PNG
(2,8-disubstituted dipyridodiazepinone 19 | 3-({5-c...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(N)=O)cnc12
Show InChI InChI=1S/C22H20ClN5O3/c1-3-28-20-16(22(30)27(2)17-7-8-18(23)26-21(17)28)9-13(11-25-20)12-31-15-6-4-5-14(10-15)19(24)29/h4-11H,3,12H2,1-2H3,(H2,24,29)
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n/an/a 280n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2038
PNG
(13-(3-aminophenoxymethyl)-5-chloro-2-ethyl-9-methy...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-3-27-19-16(21(28)26(2)17-7-8-18(22)25-20(17)27)9-13(11-24-19)12-29-15-6-4-5-14(23)10-15/h4-11H,3,12,23H2,1-2H3
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n/an/a 100n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2039
PNG
(2,8-disubstituted dipyridodiazepinone 21 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)[N+]([O-])=O)cnc12
Show InChI InChI=1S/C21H18ClN5O4/c1-3-26-19-16(21(28)25(2)17-7-8-18(22)24-20(17)26)9-13(11-23-19)12-31-15-6-4-5-14(10-15)27(29)30/h4-11H,3,12H2,1-2H3
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n/an/a 350n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2040
PNG
(2,8-disubstituted dipyridodiazepinone 23 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-4-27-20-17(22(28)26(2)18-8-9-19(23)25-21(18)27)10-14(12-24-20)13-30-16-7-5-6-15(11-16)29-3/h5-12H,4,13H2,1-3H3
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n/an/a 280n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2041
PNG
(2,8-disubstituted dipyridodiazepinone 24 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-16(23(30)28(2)18-7-8-20(24)27-22(18)29)11-14(12-26-21)13-31-19-6-4-5-17-15(19)9-10-25-17/h4-12,25H,3,13H2,1-2H3
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n/an/a 710n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2042
PNG
(2,8-disubstituted dipyridodiazepinone 25 | 2-Chlor...)
Show SMILES CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-17(23(30)28(2)19-6-7-20(24)27-22(19)29)10-14(12-26-21)13-31-16-4-5-18-15(11-16)8-9-25-18/h4-12,25H,3,13H2,1-2H3
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n/an/a 90n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2043
PNG
(2,8-disubstituted dipyridodiazepinone 26 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccnc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-6-7-17(21)24-19(16)26)9-13(10-23-18)12-28-14-5-4-8-22-11-14/h4-11H,3,12H2,1-2H3
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n/an/a 260n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2044
PNG
(2,8-disubstituted dipyridodiazepinone 27 | 2-ethyl...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H19N5O2/c1-3-25-18-16(20(26)24(2)17-5-4-8-22-19(17)25)11-14(12-23-18)13-27-15-6-9-21-10-7-15/h4-12H,3,13H2,1-2H3
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n/an/a 140n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2045
PNG
(2,8-disubstituted dipyridodiazepinone 28 | 2-ethyl...)
Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18FN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
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n/an/a 190n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2046
PNG
(2,8-disubstituted dipyridodiazepinone 29 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
Show InChI InChI=1S/C20H18ClN5O2/c1-3-26-18-15(20(27)25(2)16-4-5-17(21)24-19(16)26)10-13(11-23-18)12-28-14-6-8-22-9-7-14/h4-11H,3,12H2,1-2H3
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n/an/a 260n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2047
PNG
(2,8-disubstituted dipyridodiazepinone 30 | 2-Chlor...)
Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12
Show InChI InChI=1S/C21H20ClN5O2/c1-4-27-19-16(21(28)26(3)17-5-6-18(22)25-20(17)27)10-14(11-24-19)12-29-15-7-8-23-13(2)9-15/h5-11H,4,12H2,1-3H3
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n/an/a 30n/an/an/an/a7.822



Pfizer 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 51: 3804-13 (2008)


Article DOI: 10.1021/jm7015057
BindingDB Entry DOI: 10.7270/Q2DN437S
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 (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)
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 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)
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 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)
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 6.10E+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)
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)
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 (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)
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)
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)
BDBM1890
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2,6-difluorophenyl)e...)
Show SMILES Fc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H12BrF2N3S/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
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n/an/a 30n/an/an/an/a7.837



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2118
PNG
(3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}et...)
Show SMILES CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)
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n/an/a>2.00E+3n/an/an/an/a7.837



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2119
PNG
(LY300046HCl Analog 3 | N-[2-(3-(Acetamidomethyl)-2...)
Show SMILES CC(=O)NCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C17H17BrF2N4OS/c1-10(25)22-8-11-2-4-14(19)13(16(11)20)6-7-21-17(26)24-15-5-3-12(18)9-23-15/h2-5,9H,6-8H2,1H3,(H,22,25)(H2,21,23,24,26)
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n/an/a>2.00E+3n/an/an/an/a7.837



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2120
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...)
Show SMILES Fc1ccc(C#N)c(F)c1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H11ClF2N4S/c16-10-2-4-13(21-8-10)22-15(23)20-6-5-11-12(17)3-1-9(7-19)14(11)18/h1-4,8H,5-6H2,(H2,20,21,22,23)
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n/an/a 90n/an/an/an/a7.837



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2121
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[3-(dimethylamino)-2...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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n/an/a 190n/an/an/an/a7.837



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2122
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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n/an/a 170n/an/an/an/a7.837



Lilly Research Laboratories



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 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
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