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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'marceddu' and Initial = 't'   
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


(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 25n/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


(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 31n/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


(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 |r|
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 33n/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


(Human immunodeficiency virus type 1)
BDBM2416
PNG
(1-[2-(diphenylmethoxy)ethyl]-2-methyl-5-nitro-1H-i...)
Show SMILES Cc1ncc(n1CCOC(c1ccccc1)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O3/c1-15-20-14-18(22(23)24)21(15)12-13-25-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3
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n/an/a 50n/an/an/an/an/an/a



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.


Bioorg Med Chem Lett 10: 253-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q81B7J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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 72n/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 (Y181C)


(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 |r|
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 85n/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 (Y181C)


(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 110n/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 (Y181C)


(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 130n/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 (Y181C)


(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 160n/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


(Human immunodeficiency virus type 1)
BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



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.


Bioorg Med Chem Lett 10: 253-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q81B7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2421
PNG
(1-{2-[(2,4-dichlorophenyl)(phenyl)methoxy]ethyl}-2...)
Show SMILES Cc1ncc(n1CCOC(c1ccccc1)c1ccc(Cl)cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C19H17Cl2N3O3/c1-13-22-12-18(24(25)26)23(13)9-10-27-19(14-5-3-2-4-6-14)16-8-7-15(20)11-17(16)21/h2-8,11-12,19H,9-10H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



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.


Bioorg Med Chem Lett 10: 253-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q81B7J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2419
PNG
(1-{2-[(4-tert-butylphenyl)(phenyl)methoxy]ethyl}-2...)
Show SMILES Cc1ncc(n1CCOC(c1ccccc1)c1ccc(cc1)C(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-16-21(26(27)28)25(17)14-15-29-22(18-8-6-5-7-9-18)19-10-12-20(13-11-19)23(2,3)4/h5-13,16,22H,14-15H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



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.


Bioorg Med Chem Lett 10: 253-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q81B7J
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123880
PNG
((4-Chloro-phenyl)-(2-chloro-pyridine-4-carbonyl)-t...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C23H15Cl2N3O4S/c24-15-5-7-16(8-6-15)28(20(29)14-9-10-26-19(25)13-14)23(33)32-12-11-27-21(30)17-3-1-2-4-18(17)22(27)31/h1-10,13H,11-12H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2418
PNG
(2-methyl-1-{2-[(4-methylphenyl)(phenyl)methoxy]eth...)
Show SMILES Cc1ncc(n1CCOC(c1ccccc1)c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O3/c1-15-8-10-18(11-9-15)20(17-6-4-3-5-7-17)26-13-12-22-16(2)21-14-19(22)23(24)25/h3-11,14,20H,12-13H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



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.


Bioorg Med Chem Lett 10: 253-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q81B7J
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2420
PNG
(1-{2-[(4-fluorophenyl)(phenyl)methoxy]ethyl}-2-met...)
Show SMILES Cc1ncc(n1CCOC(c1ccccc1)c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H18FN3O3/c1-14-21-13-18(23(24)25)22(14)11-12-26-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,13,19H,11-12H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



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.


Bioorg Med Chem Lett 10: 253-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q81B7J
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123871
PNG
((4-Chloro-phenyl)-(furan-2-carbonyl)-thiocarbamic ...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Show InChI InChI=1S/C22H15ClN2O5S/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-12-29-18)22(31)30-13-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,12H,11,13H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123875
PNG
((4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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 2.80E+3n/an/an/an/a7.937



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)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
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)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
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)
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)
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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 6.00E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2484
PNG
(1-(benzenesulfonyl)-2-nitrobenzene | 2-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H
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n/an/a 5.05E+4n/an/an/an/a7.937



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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123872
PNG
((2-Phenoxy-acetyl)-phenyl-thiocarbamic acid O-(1-m...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)COc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23NO4S/c1-19(17-27-21-13-7-3-8-14-21)29-24(30)25(20-11-5-2-6-12-20)23(26)18-28-22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123870
PNG
(Benzoyl-phenyl-thiocarbamic acid O-[2-(1,3-dioxo-1...)
Show SMILES O=C(N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O4S/c27-21(17-9-3-1-4-10-17)26(18-11-5-2-6-12-18)24(31)30-16-15-25-22(28)19-13-7-8-14-20(19)23(25)29/h1-14H,15-16H2
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n/an/an/an/a 400n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123917
PNG
((4-Fluoro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Fc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15FN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/an/an/a 100n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123881
PNG
((4-Ethyl-phenyl)-(furan-2-carbonyl)-thiocarbamic a...)
Show SMILES CCc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Show InChI InChI=1S/C24H20N2O5S/c1-2-16-9-11-17(12-10-16)26(23(29)20-8-5-14-30-20)24(32)31-15-13-25-21(27)18-6-3-4-7-19(18)22(25)28/h3-12,14H,2,13,15H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123890
PNG
(CHEMBL166333 | O-(1-methyl-2-phenoxyethyl) O-pheny...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO4S/c1-18(17-26-20-13-7-3-8-14-20)27-23(29)24(19-11-5-2-6-12-19)22(25)28-21-15-9-4-10-16-21/h2-16,18H,17H2,1H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123895
PNG
(Benzoyl-phenyl-thiocarbamic acid O-phenethyl ester...)
Show SMILES O=C(N(C(=S)OCCc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19NO2S/c24-21(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)22(26)25-17-16-18-10-4-1-5-11-18/h1-15H,16-17H2
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n/an/an/an/a 4.20E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123916
PNG
(CHEMBL349827 | Phenyl-(thiophene-2-carbonyl)-thioc...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccccc1
Show InChI InChI=1S/C21H19NO3S2/c1-16(15-24-18-11-6-3-7-12-18)25-21(26)22(17-9-4-2-5-10-17)20(23)19-13-8-14-27-19/h2-14,16H,15H2,1H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123900
PNG
((Naphthalene-2-carbonyl)-phenyl-thiocarbamic acid ...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C27H23NO3S/c1-20(19-30-25-14-6-3-7-15-25)31-27(32)28(24-12-4-2-5-13-24)26(29)23-17-16-21-10-8-9-11-22(21)18-23/h2-18,20H,19H2,1H3
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123921
PNG
((3-Nitro-benzoyl)-phenyl-thiocarbamic acid O-(1-me...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H20N2O5S/c1-17(16-29-21-13-6-3-7-14-21)30-23(31)24(19-10-4-2-5-11-19)22(26)18-9-8-12-20(15-18)25(27)28/h2-15,17H,16H2,1H3
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n/an/an/an/a 3.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123886
PNG
((Thiophene-2-carbonyl)-(3-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H15F3N2O4S2/c24-23(25,26)14-5-3-6-15(13-14)28(21(31)18-9-4-12-34-18)22(33)32-11-10-27-19(29)16-7-1-2-8-17(16)20(27)30/h1-9,12-13H,10-11H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123888
PNG
((2-Ethyl-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES CCc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C24H20N2O4S2/c1-2-16-8-3-6-11-19(16)26(23(29)20-12-7-15-32-20)24(31)30-14-13-25-21(27)17-9-4-5-10-18(17)22(25)28/h3-12,15H,2,13-14H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123906
PNG
((3-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-14-5-3-6-15(13-14)25(21(28)18-9-4-12-31-18)22(30)29-11-10-24-19(26)16-7-1-2-8-17(16)20(24)27/h1-9,12-13H,10-11H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123877
PNG
(Benzoyl-phenyl-thiocarbamic acid O-furan-2-ylmethy...)
Show SMILES O=C(N(C(=S)OCc1ccco1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-18(15-8-3-1-4-9-15)20(16-10-5-2-6-11-16)19(24)23-14-17-12-7-13-22-17/h1-13H,14H2
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n/an/an/an/a>3.83E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123868
PNG
((4-Methyl-benzoyl)-phenyl-thiocarbamic acid O-(2-p...)
Show SMILES Cc1ccc(cc1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c1-18-12-14-19(15-13-18)22(25)24(20-8-4-2-5-9-20)23(28)27-17-16-26-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
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n/an/an/an/a 9.90E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123924
PNG
((3-Acetyl-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES CC(=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C24H18N2O5S2/c1-15(27)16-6-4-7-17(14-16)26(23(30)20-10-5-13-33-20)24(32)31-12-11-25-21(28)18-8-2-3-9-19(18)22(25)29/h2-10,13-14H,11-12H2,1H3
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123909
PNG
((3-Fluoro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Fc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15FN2O4S2/c23-14-5-3-6-15(13-14)25(21(28)18-9-4-12-31-18)22(30)29-11-10-24-19(26)16-7-1-2-8-17(16)20(24)27/h1-9,12-13H,10-11H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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n/an/an/an/a 20n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123883
PNG
((Thiophene-2-carbonyl)-p-tolyl-thiocarbamic acid O...)
Show SMILES Cc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O4S2/c1-15-8-10-16(11-9-15)25(22(28)19-7-4-14-31-19)23(30)29-13-12-24-20(26)17-5-2-3-6-18(17)21(24)27/h2-11,14H,12-13H2,1H3
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n/an/an/an/a 400n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123889
PNG
(CHEMBL164697 | Phenyl-(tetrahydro-furan-2-carbonyl...)
Show SMILES O=C(C1CCCO1)N(C(=S)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H19NO3S/c21-18(17-12-7-13-22-17)20(16-10-5-2-6-11-16)19(24)23-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
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n/an/an/an/a 5.80E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123905
PNG
((3-Nitro-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES [O-][N+](=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15N3O6S2/c26-19-16-7-1-2-8-17(16)20(27)23(19)10-11-31-22(32)24(21(28)18-9-4-12-33-18)14-5-3-6-15(13-14)25(29)30/h1-9,12-13H,10-11H2
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n/an/an/an/a 380n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123925
PNG
((Thiophene-2-carbonyl)-m-tolyl-thiocarbamic acid O...)
Show SMILES Cc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O4S2/c1-15-6-4-7-16(14-15)25(22(28)19-10-5-13-31-19)23(30)29-12-11-24-20(26)17-8-2-3-9-18(17)21(24)27/h2-10,13-14H,11-12H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123914
PNG
((2-Phenoxy-acetyl)-phenyl-thiocarbamic acid O-(2-p...)
Show SMILES O=C(COc1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO4S/c25-22(18-28-21-14-8-3-9-15-21)24(19-10-4-1-5-11-19)23(29)27-17-16-26-20-12-6-2-7-13-20/h1-15H,16-18H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123923
PNG
(CHEMBL164503 | Phenyl-(3,4,5-trimethoxy-benzoyl)-t...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25NO6S/c1-28-21-16-18(17-22(29-2)23(21)30-3)24(27)26(19-10-6-4-7-11-19)25(33)32-15-14-31-20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3
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n/an/an/an/a 9.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123878
PNG
((4-Chloro-3-nitro-benzoyl)-phenyl-thiocarbamic aci...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17ClN2O5S/c23-19-12-11-16(15-20(19)25(27)28)21(26)24(17-7-3-1-4-8-17)22(31)30-14-13-29-18-9-5-2-6-10-18/h1-12,15H,13-14H2
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n/an/an/an/a 7.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123875
PNG
((4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/an/an/a 8n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
BindingDB Entry DOI: 10.7270/Q2BC3XXX
More data for this
Ligand-Target Pair
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