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Found 104 hits Enz. Inhib. hit(s) with Target = 'HIV-1 Reverse Transcriptase Mutant (K103N)'   
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 (K103N)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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160 -40.3n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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300 -38.7n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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800 -36.2n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27581
PNG
(8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3
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1.50E+3 -34.6n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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7.00E+3 -30.6n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2860
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)
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n/an/a>2.40E+3n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2719
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2...)
Show SMILES COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O
Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(19)13(16(12)25-2)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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n/an/a>2.70E+3n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2720
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...)
Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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n/an/a>2.70E+3n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2721
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluo...)
Show SMILES CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)
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n/an/a 473n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2722
PNG
(3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...)
Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)
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n/an/a 237n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2723
PNG
(3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...)
Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(19)16(17(14)20)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)
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n/an/a 192n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27576
PNG
(5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
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n/an/a 384n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27577
PNG
(5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...)
Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
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n/an/a 183n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27578
PNG
(5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...)
Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)
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n/an/a 1.27E+3n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM27579
PNG
(AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...)
Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)
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n/an/a 68n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 364n/an/an/an/a7.837



Pfizer



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1219-23 (2009)


Article DOI: 10.1021/jm801322h
BindingDB Entry DOI: 10.7270/Q2707ZRW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2717
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 224n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2716
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4O/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>2.50E+3n/an/an/an/a7.837



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 3.40E+3n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



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 46: 2482-93 (2003)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a>5.00E+3n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



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 46: 2482-93 (2003)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2481
PNG
(5-Chloro-3-[(4-methylphenyl)sulfonyl]-1H-indole-2-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
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n/an/a>5.00E+3n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



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 46: 2482-93 (2003)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2482
PNG
(5-Chloro-3-[(3,5-dimethylphenyl)sulfonyl]-1H-indol...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
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n/an/a>5.00E+3n/an/an/an/a7.837



Universita degli Studi di Roma La Sapienza



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 46: 2482-93 (2003)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2BP0101
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2278
PNG
(3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 116n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2279
PNG
(2-[(benzenesulfinyl)methyl]-3-(phenylsulfanyl)-1H-...)
Show SMILES O=S(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17NOS2/c23-25(17-11-5-2-6-12-17)15-20-21(24-16-9-3-1-4-10-16)18-13-7-8-14-19(18)22-20/h1-14,22H,15H2
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n/an/a 2.57E+3n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2284
PNG
(5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxamid...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
Show InChI InChI=1S/C15H11ClN2OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)20-10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 1.46E+3n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2288
PNG
(3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxami...)
Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O2S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)21(20)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
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n/an/a 2.76E+3n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 545n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM1868
PNG
((+)-(5S)-4,5,6,7-tetrahydro-9-chloro 5-methyl-6-(3...)
Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
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n/an/a 7.32E+3n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
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 5.79E+4n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM1437
PNG
(5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...)
Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3
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n/an/a 3.34E+4n/an/an/an/a8.2n/a



Merck 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 36: 1291-4 (1993)


Article DOI: 10.1021/jm00061a022
BindingDB Entry DOI: 10.7270/Q2RV0KWR
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5107
PNG
(N-(5-tert-Butyl-4-methyl-1,3-thiazol-2-yl)-3-nitro...)
Show SMILES Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
Show InChI InChI=1S/C14H16N3O4S2/c1-9-12(14(2,3)4)22-13(15-9)16-23(20,21)11-7-5-6-10(8-11)17(18)19/h5-8H,1-4H3/q-1/p+1
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n/an/a 3.20E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5026
PNG
(3-substituted thiazolidene deriv. 17a | N-[(2Z)-5-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a 1.30E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5109
PNG
(N-(3,4-Dimethyl-1,3-thiazol-2(3H)-ylidene)-3-nitro...)
Show SMILES Cc1cs\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C11H11N3O4S2/c1-8-7-19-11(13(8)2)12-20(17,18)10-5-3-4-9(6-10)14(15)16/h3-7H,1-2H3/b12-11-
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n/an/a>5.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5110
PNG
(3-nitro-N-[(2Z)-3,4,5-trimethyl-2,3-dihydro-1,3-th...)
Show SMILES Cc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
Show InChI InChI=1S/C12H13N3O4S2/c1-8-9(2)20-12(14(8)3)13-21(18,19)11-6-4-5-10(7-11)15(16)17/h4-7H,1-3H3/b13-12-
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n/an/a>5.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5111
PNG
(N-(5-Ethyl-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene)...)
Show SMILES CCc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
Show InChI InChI=1S/C13H15N3O4S2/c1-4-12-9(2)15(3)13(21-12)14-22(19,20)11-7-5-6-10(8-11)16(17)18/h5-8H,4H2,1-3H3/b14-13-
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n/an/a 6.30E+3n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5112
PNG
(N-(3,4-Dimethyl-5-isopropyl-1,3-thiazol-2(3H)-ylid...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
Show InChI InChI=1S/C14H17N3O4S2/c1-9(2)13-10(3)16(4)14(22-13)15-23(20,21)12-7-5-6-11(8-12)17(18)19/h5-9H,1-4H3/b15-14-
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n/an/a 2.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 12: 6171-82 (2004)


Article DOI: 10.1016/j.bmc.2004.08.050
BindingDB Entry DOI: 10.7270/Q23R0R24
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5032
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES COc1ccccc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
Show InChI InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-10-8-7-9-12(13)21-6/h7-10H,1-6H3/b17-15-
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n/an/a>5.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5027
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-9-7-6-8-11(12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a>5.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5028
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2Cl)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O2S2/c1-10-13(15(2,3)4)21-14(18(10)5)17-22(19,20)12-9-7-6-8-11(12)16/h6-9H,1-5H3/b17-14-
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n/an/a>1.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5029
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O2S2/c1-10-13(15(2,3)4)21-14(18(10)5)17-22(19,20)12-8-6-7-11(16)9-12/h6-9H,1-5H3/b17-14-
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n/an/a 1.10E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5030
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-11(7-9-12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a>1.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5031
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccc(Cl)cc2)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O2S2/c1-10-13(15(2,3)4)21-14(18(10)5)17-22(19,20)12-8-6-11(16)7-9-12/h6-9H,1-5H3/b17-14-
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n/an/a>1.00E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM5026
PNG
(3-substituted thiazolidene deriv. 17a | N-[(2Z)-5-...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
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n/an/a 1.30E+4n/an/an/an/a8.437



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(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/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd



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.


Bioorg Med Chem 13: 949-61 (2005)


Article DOI: 10.1016/j.bmc.2004.11.045
BindingDB Entry DOI: 10.7270/Q2C53J1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (K103N)


(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 935n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(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 32n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2725
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)cyclopropyl...)
Show SMILES CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)
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n/an/a 183n/an/an/an/an/an/a



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2727
PNG
(3-[2-(2-chloro-6-fluoro-3-hydroxyphenyl)cyclopropy...)
Show SMILES Oc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C15H12Cl2FN3O2/c16-7-1-4-12(19-6-7)21-15(23)20-10-5-8(10)13-9(18)2-3-11(22)14(13)17/h1-4,6,8,10,22H,5H2,(H2,19,20,21,23)
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n/an/a>2.70E+3n/an/an/an/an/an/a



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N)


(Human immunodeficiency virus type 1)
BDBM2728
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...)
Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O
Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)
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n/an/a 57n/an/an/an/an/an/a



Medivir AB



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 42: 4150-60 (1999)


Article DOI: 10.1021/jm990095j
BindingDB Entry DOI: 10.7270/Q25X273G
More data for this
Ligand-Target Pair
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