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Found 17 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase (HIV-1 RT)' AND taxid = 11698   
Target
(Institution)
LigandTarget
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
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
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 20n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


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Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 370n/an/an/an/an/an/a



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...


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Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
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 690n/an/an/an/an/an/a



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...


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More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189356
PNG
(N-(2-Bromo-4-sulfonamido-phenyl)-2-(1-(4-cycloprop...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)c(Br)c1
Show InChI InChI=1S/C27H22BrN5O3S2/c28-21-14-17(38(29,35)36)9-11-22(21)31-25(34)15-37-27-32-26-24(6-3-13-30-26)33(27)23-12-10-18(16-7-8-16)19-4-1-2-5-20(19)23/h1-6,9-14,16H,7-8,15H2,(H,31,34)(H2,29,35,36)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189342
PNG
(RDS1759)
Show SMILES CCOC(=O)C(=O)CC(=O)\C=C\c1cccn1Cc1ccccc1Cl
Show InChI InChI=1S/C19H18ClNO4/c1-2-25-19(24)18(23)12-16(22)10-9-15-7-5-11-21(15)13-14-6-3-4-8-17(14)20/h3-11H,2,12-13H2,1H3/b10-9+
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


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More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189337
PNG
(STOCK5S-18255 (2))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CCCn3c2c1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-3-4-8-16-31-24(32)22-23(28(2)26(31)33)27-25-29(17-9-18-30(22)25)19-12-14-21(15-13-19)34-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189341
PNG
(STOCK4S-60534 (6))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(=O)OCc3ccccc3)c(=O)c21
Show InChI InChI=1/C26H27N5O6/c1-3-36-20-11-9-18(10-12-20)29-13-19(32)14-30-22-23(27-25(29)30)28(2)26(35)31(24(22)34)15-21(33)37-16-17-7-5-4-6-8-17/h4-12,19,32H,3,13-16H2,1-2H3
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n/an/a 2.85E+4n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189341
PNG
(STOCK4S-60534 (6))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(=O)OCc3ccccc3)c(=O)c21
Show InChI InChI=1/C26H27N5O6/c1-3-36-20-11-9-18(10-12-20)29-13-19(32)14-30-22-23(27-25(29)30)28(2)26(35)31(24(22)34)15-21(33)37-16-17-7-5-4-6-8-17/h4-12,19,32H,3,13-16H2,1-2H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189337
PNG
(STOCK5S-18255 (2))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CCCn3c2c1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-3-4-8-16-31-24(32)22-23(28(2)26(31)33)27-25-29(17-9-18-30(22)25)19-12-14-21(15-13-19)34-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM60932
PNG
(STOCK4S-37006 (4))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CC(C)Cn3c2c1=O)c1ccc(OC)cc1
Show InChI InChI=1/C22H29N5O3/c1-5-6-7-12-25-20(28)18-19(24(3)22(25)29)23-21-26(13-15(2)14-27(18)21)16-8-10-17(30-4)11-9-16/h8-11,15H,5-7,12-14H2,1-4H3
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n/an/a 9.70E+4n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189340
PNG
(STOCK5S-55040 (5))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(N)=O)c(=O)c21
Show InChI InChI=1/C19H22N6O5/c1-3-30-13-6-4-11(5-7-13)23-8-12(26)9-24-15-16(21-18(23)24)22(2)19(29)25(17(15)28)10-14(20)27/h4-7,12,26H,3,8-10H2,1-2H3,(H2,20,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189336
PNG
(MAS0 (1))
Show SMILES Cn1c2nc3N(CC(O)Cn3c2c(=O)n(C)c1=O)c1ccc(O)cc1
Show InChI InChI=1/C16H17N5O4/c1-18-13-12(14(24)19(2)16(18)25)21-8-11(23)7-20(15(21)17-13)9-3-5-10(22)6-4-9/h3-6,11,22-23H,7-8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189338
PNG
(STOCK2S-18057 (3))
Show SMILES CCc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1/C18H21N5O3/c1-4-11-5-7-12(8-6-11)22-9-13(24)10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h5-8,13,24H,4,9-10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM60932
PNG
(STOCK4S-37006 (4))
Show SMILES CCCCCn1c(=O)n(C)c2nc3N(CC(C)Cn3c2c1=O)c1ccc(OC)cc1
Show InChI InChI=1/C22H29N5O3/c1-5-6-7-12-25-20(28)18-19(24(3)22(25)29)23-21-26(13-15(2)14-27(18)21)16-8-10-17(30-4)11-9-16/h8-11,15H,5-7,12-14H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189336
PNG
(MAS0 (1))
Show SMILES Cn1c2nc3N(CC(O)Cn3c2c(=O)n(C)c1=O)c1ccc(O)cc1
Show InChI InChI=1/C16H17N5O4/c1-18-13-12(14(24)19(2)16(18)25)21-8-11(23)7-20(15(21)17-13)9-3-5-10(22)6-4-9/h3-6,11,22-23H,7-8H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189338
PNG
(STOCK2S-18057 (3))
Show SMILES CCc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1/C18H21N5O3/c1-4-11-5-7-12(8-6-11)22-9-13(24)10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h5-8,13,24H,4,9-10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised ...


Citation and Details
More data for this
Ligand-Target Pair
Reverse transcriptase (HIV-1 RT)


(Human immunodeficiency virus 1 (Virus))
BDBM189340
PNG
(STOCK5S-55040 (5))
Show SMILES CCOc1ccc(cc1)N1CC(O)Cn2c1nc1n(C)c(=O)n(CC(N)=O)c(=O)c21
Show InChI InChI=1/C19H22N6O5/c1-3-30-13-6-4-11(5-7-13)23-8-12(26)9-24-15-16(21-18(23)24)22(2)19(29)25(17(15)28)10-14(20)27/h4-7,12,26H,3,8-10H2,1-2H3,(H2,20,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Siena



Assay Description
RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris·HCl buffer (25 mL, 60 mm, pH 8.1) con...


Citation and Details
More data for this
Ligand-Target Pair