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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50003957   
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
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478040
PNG
(CHEMBL198347)
Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O)C#N
Show InChI InChI=1S/C24H20ClN3O5S/c1-14-7-16(12-26)10-17(8-14)24(30)20-11-18(25)3-6-22(20)33-13-23(29)28-21-5-4-19(9-15(21)2)34(27,31)32/h3-11H,13H2,1-2H3,(H,28,29)(H2,27,31,32)
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n/an/a 0.891n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478026
PNG
(CHEMBL203420 | GW678248 | GW8248)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O
Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)
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n/an/a 1n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478025
PNG
(CHEMBL199409)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(cc(c1)C(F)(F)F)C#N)S(N)(=O)=O
Show InChI InChI=1S/C24H17ClF3N3O5S/c1-13-6-18(37(30,34)35)3-4-20(13)31-22(32)12-36-21-5-2-17(25)10-19(21)23(33)15-7-14(11-29)8-16(9-15)24(26,27)28/h2-10H,12H2,1H3,(H,31,32)(H2,30,34,35)
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n/an/a 1.10n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478050
PNG
(CHEMBL199328)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(c1)C#N)S(N)(=O)=O
Show InChI InChI=1S/C23H18ClN3O5S/c1-14-9-18(33(26,30)31)6-7-20(14)27-22(28)13-32-21-8-5-17(24)11-19(21)23(29)16-4-2-3-15(10-16)12-25/h2-11H,13H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 1.5n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478032
PNG
(CHEMBL275658 | GW4511 | GW564511 | GW69564)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C23H17ClF4N2O5S/c1-12-6-17(36(29,33)34)3-4-19(12)30-21(31)11-35-20-5-2-15(24)10-18(20)22(32)13-7-14(23(26,27)28)9-16(25)8-13/h2-10H,11H2,1H3,(H,30,31)(H2,29,33,34)
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n/an/a 2n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478048
PNG
(CHEMBL199539)
Show SMILES CNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C24H19ClF4N2O5S/c1-13-7-18(37(34,35)30-2)4-5-20(13)31-22(32)12-36-21-6-3-16(25)11-19(21)23(33)14-8-15(24(27,28)29)10-17(26)9-14/h3-11,30H,12H2,1-2H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478047
PNG
(CHEMBL201793)
Show SMILES Cc1nc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O
Show InChI InChI=1S/C22H16Cl2N4O5S/c1-12-18(3-5-21(27-12)34(26,31)32)28-20(29)11-33-19-4-2-15(23)9-17(19)22(30)14-6-13(10-25)7-16(24)8-14/h2-9H,11H2,1H3,(H,28,29)(H2,26,31,32)
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n/an/a 3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478044
PNG
(CHEMBL201485)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O
Show InChI InChI=1S/C24H23ClN2O5S/c1-14-8-15(2)10-17(9-14)24(29)20-12-18(25)4-7-22(20)32-13-23(28)27-21-6-5-19(11-16(21)3)33(26,30)31/h4-12H,13H2,1-3H3,(H,27,28)(H2,26,30,31)
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n/an/a 3.30n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478027
PNG
(CHEMBL201343)
Show SMILES Cc1cc(Cl)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O
Show InChI InChI=1S/C23H20Cl2N2O5S/c1-13-7-15(10-17(25)8-13)23(29)19-11-16(24)3-6-21(19)32-12-22(28)27-20-5-4-18(9-14(20)2)33(26,30)31/h3-11H,12H2,1-2H3,(H,27,28)(H2,26,30,31)
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n/an/a 3.60n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478022
PNG
(CHEMBL202929)
Show SMILES Cc1cc(OCCCNC(N)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24ClF4N3O5/c1-15-9-20(39-8-2-7-34-26(33)38)4-5-22(15)35-24(36)14-40-23-6-3-18(28)13-21(23)25(37)16-10-17(27(30,31)32)12-19(29)11-16/h3-6,9-13H,2,7-8,14H2,1H3,(H,35,36)(H3,33,34,38)
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n/an/a 4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478046
PNG
(CHEMBL202663 | GW3011)
Show SMILES Cc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H23ClF4N2O6S/c1-15-9-20(38-7-2-8-40(32,36)37)4-5-22(15)33-24(34)14-39-23-6-3-18(27)13-21(23)25(35)16-10-17(26(29,30)31)12-19(28)11-16/h3-6,9-13H,2,7-8,14H2,1H3,(H,33,34)(H2,32,36,37)
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n/an/a 4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478053
PNG
(CHEMBL427371)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(c1)C#N)N1CC[S+]([O-])CC1
Show InChI InChI=1S/C27H24ClN3O4S/c1-18-13-22(31-9-11-36(34)12-10-31)6-7-24(18)30-26(32)17-35-25-8-5-21(28)15-23(25)27(33)20-4-2-3-19(14-20)16-29/h2-8,13-15H,9-12,17H2,1H3,(H,30,32)
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n/an/a 5n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478028
PNG
(CHEMBL198398)
Show SMILES Cc1cc(ncc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O
Show InChI InChI=1S/C22H16Cl2N4O5S/c1-12-4-21(34(26,31)32)27-10-18(12)28-20(29)11-33-19-3-2-15(23)8-17(19)22(30)14-5-13(9-25)6-16(24)7-14/h2-8,10H,11H2,1H3,(H,28,29)(H2,26,31,32)
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n/an/a 5n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478036
PNG
(CHEMBL199506)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C25H21ClF4N2O5S/c1-14-8-19(38(35,36)32(2)3)5-6-21(14)31-23(33)13-37-22-7-4-17(26)12-20(22)24(34)15-9-16(25(28,29)30)11-18(27)10-15/h4-12H,13H2,1-3H3,(H,31,33)
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n/an/a 6n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478030
PNG
(CHEMBL426480)
Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(nc1C)S(N)(=O)=O)C#N
Show InChI InChI=1S/C23H19ClN4O5S/c1-13-7-15(11-25)9-16(8-13)23(30)18-10-17(24)3-5-20(18)33-12-21(29)28-19-4-6-22(27-14(19)2)34(26,31)32/h3-10H,12H2,1-2H3,(H,28,29)(H2,26,31,32)
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n/an/a 6n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478049
PNG
(CHEMBL203313)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(Br)c1)S(N)(=O)=O
Show InChI InChI=1S/C22H17BrCl2N2O5S/c1-12-6-17(33(26,30)31)3-4-19(12)27-21(28)11-32-20-5-2-15(24)10-18(20)22(29)13-7-14(23)9-16(25)8-13/h2-10H,11H2,1H3,(H,27,28)(H2,26,30,31)
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n/an/a 6.20n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478029
PNG
(CHEMBL201527)
Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1cnc(cc1C)S(N)(=O)=O)C#N
Show InChI InChI=1S/C23H19ClN4O5S/c1-13-5-15(10-25)8-16(6-13)23(30)18-9-17(24)3-4-20(18)33-12-21(29)28-19-11-27-22(7-14(19)2)34(26,31)32/h3-9,11H,12H2,1-2H3,(H,28,29)(H2,26,31,32)
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n/an/a 7.10n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478034
PNG
(CHEMBL201526)
Show SMILES Cc1cc(NC(=O)CCN2CCOCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H28ClF2N3O5/c1-18-12-23(33-27(36)6-7-35-8-10-39-11-9-35)3-4-25(18)34-28(37)17-40-26-5-2-20(30)15-24(26)29(38)19-13-21(31)16-22(32)14-19/h2-5,12-16H,6-11,17H2,1H3,(H,33,36)(H,34,37)
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n/an/a 8.90n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478033
PNG
(CHEMBL257667)
Show SMILES COCCOCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C28H26ClF4NO6/c1-17-11-22(39-10-9-38-8-7-37-2)4-5-24(17)34-26(35)16-40-25-6-3-20(29)15-23(25)27(36)18-12-19(28(31,32)33)14-21(30)13-18/h3-6,11-15H,7-10,16H2,1-2H3,(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478023
PNG
(CHEMBL201084)
Show SMILES Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H16ClF2NO3/c1-13-4-2-3-5-19(13)26-21(27)12-29-20-7-6-15(23)10-18(20)22(28)14-8-16(24)11-17(25)9-14/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 38n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5052
PNG
(5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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n/an/a 40n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478037
PNG
(CHEMBL382269)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccc(cc1)C#N)N1CC[S+]([O-])CC1
Show InChI InChI=1S/C27H24ClN3O4S/c1-18-14-22(31-10-12-36(34)13-11-31)7-8-24(18)30-26(32)17-35-25-9-6-21(28)15-23(25)27(33)20-4-2-19(16-29)3-5-20/h2-9,14-15H,10-13,17H2,1H3,(H,30,32)
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n/an/a 44n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478045
PNG
(CHEMBL382644)
Show SMILES Fc1cc(F)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)nc1
Show InChI InChI=1S/C20H12Cl2F2N2O3/c21-12-1-3-17(29-10-19(27)26-15-2-4-18(22)25-9-15)16(7-12)20(28)11-5-13(23)8-14(24)6-11/h1-9H,10H2,(H,26,27)
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n/an/a 68n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478031
PNG
(CHEMBL201372)
Show SMILES COc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)cn1
Show InChI InChI=1S/C21H15ClF2N2O4/c1-29-20-5-3-16(10-25-20)26-19(27)11-30-18-4-2-13(22)8-17(18)21(28)12-6-14(23)9-15(24)7-12/h2-10H,11H2,1H3,(H,26,27)
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n/an/a 72n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478054
PNG
(CHEMBL202822)
Show SMILES Cc1cc(cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ncc(cc1C)S(N)(=O)=O)C#N
Show InChI InChI=1S/C23H19ClN4O5S/c1-13-5-15(10-25)8-16(6-13)22(30)19-9-17(24)3-4-20(19)33-12-21(29)28-23-14(2)7-18(11-27-23)34(26,31)32/h3-9,11H,12H2,1-2H3,(H2,26,31,32)(H,27,28,29)
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n/an/a 93n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478052
PNG
(CHEMBL382630)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(c1)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C23H17BrClF3N2O5S/c1-12-6-17(36(29,33)34)3-4-19(12)30-21(31)11-35-20-5-2-16(25)10-18(20)22(32)13-7-14(23(26,27)28)9-15(24)8-13/h2-10H,11H2,1H3,(H,30,31)(H2,29,33,34)
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n/an/a 93n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478035
PNG
(CHEMBL201352)
Show SMILES CCN(CC)CCCNc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)c(C)c1
Show InChI InChI=1S/C29H32ClF2N3O3/c1-4-35(5-2)12-6-11-33-24-8-9-26(19(3)13-24)34-28(36)18-38-27-10-7-21(30)16-25(27)29(37)20-14-22(31)17-23(32)15-20/h7-10,13-17,33H,4-6,11-12,18H2,1-3H3,(H,34,36)
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n/an/a 95n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478038
PNG
(CHEMBL372818)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1)N1CC[S+]([O-])CC1
Show InChI InChI=1S/C26H25ClN2O4S/c1-18-15-21(29-11-13-34(32)14-12-29)8-9-23(18)28-25(30)17-33-24-10-7-20(27)16-22(24)26(31)19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3,(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478043
PNG
(CHEMBL200988)
Show SMILES Cc1cc(NCCCN2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H30ClF2N3O3/c1-19-13-24(33-9-4-12-35-10-2-3-11-35)6-7-26(19)34-28(36)18-38-27-8-5-21(30)16-25(27)29(37)20-14-22(31)17-23(32)15-20/h5-8,13-17,33H,2-4,9-12,18H2,1H3,(H,34,36)
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n/an/a 110n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478041
PNG
(CHEMBL271451)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cncc(c1)C#N)S(N)(=O)=O
Show InChI InChI=1S/C22H17ClN4O5S/c1-13-6-17(33(25,30)31)3-4-19(13)27-21(28)12-32-20-5-2-16(23)8-18(20)22(29)15-7-14(9-24)10-26-11-15/h2-8,10-11H,12H2,1H3,(H,27,28)(H2,25,30,31)
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n/an/a 141n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478051
PNG
(CHEMBL383375)
Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1ccccc1C#N)N1CC[S+]([O-])CC1
Show InChI InChI=1S/C27H24ClN3O4S/c1-18-14-21(31-10-12-36(34)13-11-31)7-8-24(18)30-26(32)17-35-25-9-6-20(28)15-23(25)27(33)22-5-3-2-4-19(22)16-29/h2-9,14-15H,10-13,17H2,1H3,(H,30,32)
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n/an/a 155n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5051
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl
Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-
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n/an/a 158n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478042
PNG
(CHEMBL203425)
Show SMILES Cc1cc(NCCCn2ccnc2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C28H25ClF2N4O3/c1-18-11-23(33-7-2-9-35-10-8-32-17-35)4-5-25(18)34-27(36)16-38-26-6-3-20(29)14-24(26)28(37)19-12-21(30)15-22(31)13-19/h3-6,8,10-15,17,33H,2,7,9,16H2,1H3,(H,34,36)
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n/an/a 158n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478039
PNG
(CHEMBL427200)
Show SMILES COc1cc(OC)cc(c1)C(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O
Show InChI InChI=1S/C24H23ClN2O7S/c1-14-8-19(35(26,30)31)5-6-21(14)27-23(28)13-34-22-7-4-16(25)11-20(22)24(29)15-9-17(32-2)12-18(10-15)33-3/h4-12H,13H2,1-3H3,(H,27,28)(H2,26,30,31)
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n/an/a 372n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5041
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H19ClN2O3S2/c1-9-13(15(2,3)4)22-14(18(9)5)17-23(20,21)12-8-10(16)6-7-11(12)19/h6-8,19H,1-5H3/b17-14-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5055
PNG
(N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
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n/an/a 3.02E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5050
PNG
(5-Bromo-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-th...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16BrN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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n/an/a 3.98E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5054
PNG
(5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-1,3-thia...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl
Show InChI InChI=1S/C14H13Cl2N3O2S2/c1-8(2)12-13(16)19(3)14(22-12)18-23(20,21)11-6-10(15)5-4-9(11)7-17/h4-6,8H,1-3H3/b18-14-
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n/an/a 3.98E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5053
PNG
(2,5-dicyano-N-[(2Z)-3,4-dimethyl-5-(propan-2-yl)-2...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C
Show InChI InChI=1S/C16H16N4O2S2/c1-10(2)15-11(3)20(4)16(23-15)19-24(21,22)14-7-12(8-17)5-6-13(14)9-18/h5-7,10H,1-4H3/b19-16-
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n/an/a 3.98E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5120
PNG
(N-(3,4-Dimethyl-5-vinyl-1,3-thiazol-2(3H)-ylidene)...)
Show SMILES Cc1c(C=C)s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C13H13N3O4S2/c1-4-12-9(2)15(3)13(21-12)14-22(19,20)11-7-5-6-10(8-11)16(17)18/h4-8H,1H2,2-3H3/b14-13-
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n/an/a 6.17E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5048
PNG
(5-Chloro-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-t...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C
Show InChI InChI=1S/C15H16ClN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-
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n/an/a 6.31E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 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 6.31E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
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n/an/a 6.92E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5056
PNG
(N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-2,3-dihy...)
Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O4S2/c1-8(2)11-12(14)16(3)13(22-11)15-23(20,21)10-6-4-5-9(7-10)17(18)19/h4-8H,1-3H3/b15-13-
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n/an/a 6.92E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 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 1.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 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 1.29E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 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 1.29E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5042
PNG
(2-Amino-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2N)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20ClN3O2S2/c1-9-13(15(2,3)4)22-14(19(9)5)18-23(20,21)12-8-10(16)6-7-11(12)17/h6-8H,17H2,1-5H3/b18-14-
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n/an/a 1.58E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 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/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM5036
PNG
(N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...)
Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2ccccc2O)n1C)C(C)(C)C
Show InChI InChI=1S/C15H20N2O3S2/c1-10-13(15(2,3)4)21-14(17(10)5)16-22(19,20)12-9-7-6-8-11(12)18/h6-9,18H,1-5H3/b16-14-
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n/an/a 3.16E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay


Bioorg Med Chem Lett 18: 1181-94 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.134
BindingDB Entry DOI: 10.7270/Q2NS0XPK
More data for this
Ligand-Target Pair
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