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14 molecules are shown

Wt: 272.3
BDBM1787
Wt: 283.3
BDBM1796
Wt: 283.3
BDBM1797
Wt: 283.3
BDBM1798
Wt: 256.3
BDBM1759
Wt: 286.3
BDBM1802
Wt: 256.3
BDBM1760
Wt: 267.3
BDBM1765
Wt: 267.3
BDBM1766
Wt: 270.3
BDBM1769
Wt: 326.2
BDBM1799
Wt: 258.2
BDBM1781
Wt: 272.3
BDBM1785
Wt: 272.3
BDBM1786

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 1787,1796,1797,1798,1759,1802,1760,1765,1766,1769,1799,1781,1785,1786   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM1759
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2d | 2-amino...)
Show SMILES Cc1ccccc1S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2OS/c1-10-5-2-3-7-13(10)18(17)14-8-4-6-12(16)11(14)9-15/h2-8H,16H2,1H3
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n/an/a>2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1785
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3e | 2-amino...)
Show SMILES Cc1ccccc1S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-5-2-3-7-13(10)19(17,18)14-8-4-6-12(16)11(14)9-15/h2-8H,16H2,1H3
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n/an/a 4.47E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1765
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2j | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H9N3OS/c15-8-10-4-1-2-6-13(10)19(18)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2
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n/an/a 9.90E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1766
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2k | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C14H9N3OS/c15-8-10-3-1-4-11(7-10)19(18)14-6-2-5-13(17)12(14)9-16/h1-7H,17H2
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n/an/a>1.50E+4n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1769
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2n | 2-amino...)
Show SMILES Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(2)8-12(7-10)19(18)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1781
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3a | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H10N2O2S/c14-9-11-12(15)7-4-8-13(11)18(16,17)10-5-2-1-3-6-10/h1-8H,15H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1785
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3e | 2-amino...)
Show SMILES Cc1ccccc1S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-5-2-3-7-13(10)19(17,18)14-8-4-6-12(16)11(14)9-15/h2-8H,16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1786
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3f | 2-amino...)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)19(17,18)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1787
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3g | 2-amino...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-5-7-11(8-6-10)19(17,18)14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1796
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3p | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H9N3O2S/c15-8-10-4-1-2-6-13(10)20(18,19)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1797
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3q | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C14H9N3O2S/c15-8-10-3-1-4-11(7-10)20(18,19)14-6-2-5-13(17)12(14)9-16/h1-7H,17H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1798
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3r | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C14H9N3O2S/c15-8-10-4-6-11(7-5-10)20(18,19)14-3-1-2-13(17)12(14)9-16/h1-7H,17H2
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n/an/a>1.80E+4n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1799
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3s | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O2S/c15-14(16,17)9-3-1-4-10(7-9)22(20,21)13-6-2-5-12(19)11(13)8-18/h1-7H,19H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1802
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94 |...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1781
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3a | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H10N2O2S/c14-9-11-12(15)7-4-8-13(11)18(16,17)10-5-2-1-3-6-10/h1-8H,15H2
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n/an/a 6.92E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1765
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2j | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H9N3OS/c15-8-10-4-1-2-6-13(10)19(18)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2
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n/an/a 9.77E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1769
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2n | 2-amino...)
Show SMILES Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(2)8-12(7-10)19(18)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
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n/an/a 501n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1802
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94 |...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1799
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3s | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O2S/c15-14(16,17)9-3-1-4-10(7-9)22(20,21)13-6-2-5-12(19)11(13)8-18/h1-7H,19H2
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n/an/a 5.25E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1797
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3q | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C14H9N3O2S/c15-8-10-3-1-4-11(7-10)20(18,19)14-6-2-5-13(17)12(14)9-16/h1-7H,17H2
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n/an/a 1.82E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1787
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3g | 2-amino...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-5-7-11(8-6-10)19(17,18)14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3
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n/an/a 7.24E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1760
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2e | 2-amino...)
Show SMILES Cc1cccc(c1)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2OS/c1-10-4-2-5-11(8-10)18(17)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1796
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3p | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H9N3O2S/c15-8-10-4-1-2-6-13(10)20(18,19)14-7-3-5-12(17)11(14)9-16/h1-7H,17H2
PDB
MMDB

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PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1786
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3f | 2-amino...)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)19(17,18)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
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n/an/a 200n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1760
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2e | 2-amino...)
Show SMILES Cc1cccc(c1)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2OS/c1-10-4-2-5-11(8-10)18(17)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline



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


J Med Chem 44: 1866-82 (2001)


Article DOI: 10.1021/jm0004906
BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)