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PubMed code 15149669

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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/RNaseH


(Human immunodeficiency virus 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 4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404254
PNG
(CHEMBL108396)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C27H26N2O3S/c1-17(2)25-23(15-20-9-6-8-18-7-4-5-10-22(18)20)28-27(29-26(25)31)33-16-24(30)19-11-13-21(32-3)14-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)
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n/an/a 30n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404253
PNG
(CHEMBL440706)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O
Show InChI InChI=1S/C26H24N2O3S/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)27-26(28-25(21)30)32-16-24(29)18-11-13-20(31-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,28,30)
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n/an/a 45n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404265
PNG
(CHEMBL431868)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C26H24N2O2S/c1-17(2)24-22(15-20-13-8-12-18-9-6-7-14-21(18)20)27-26(28-25(24)30)31-16-23(29)19-10-4-3-5-11-19/h3-14,17H,15-16H2,1-2H3,(H,27,28,30)
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n/an/a 46n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404261
PNG
(CHEMBL324237)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1S/C26H23FN2O2S/c1-16(2)24-22(14-19-8-5-7-17-6-3-4-9-21(17)19)28-26(29-25(24)31)32-15-23(30)18-10-12-20(27)13-11-18/h3-13,16H,14-15H2,1-2H3,(H,28,29,31)
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n/an/a 78n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404248
PNG
(CHEMBL107180)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1S/C25H21FN2O2S/c1-2-20-22(14-18-8-5-7-16-6-3-4-9-21(16)18)27-25(28-24(20)30)31-15-23(29)17-10-12-19(26)13-11-17/h3-13H,2,14-15H2,1H3,(H,27,28,30)
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n/an/a 78n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404260
PNG
(CHEMBL110625)
Show SMILES Cc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1S/C24H19FN2O2S/c1-15-21(13-18-7-4-6-16-5-2-3-8-20(16)18)26-24(27-23(15)29)30-14-22(28)17-9-11-19(25)12-10-17/h2-12H,13-14H2,1H3,(H,26,27,29)
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n/an/a 180n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404268
PNG
(CHEMBL108360)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2)[nH]c1=O
Show InChI InChI=1S/C27H26N2O2S/c1-17(2)25-23(15-21-9-6-8-19-7-4-5-10-22(19)21)28-27(29-26(25)31)32-16-24(30)20-13-11-18(3)12-14-20/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)
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n/an/a 240n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404264
PNG
(CHEMBL108647)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2C)[nH]c1=O
Show InChI InChI=1S/C28H28N2O2S/c1-17(2)26-24(15-21-10-7-9-20-8-5-6-11-23(20)21)29-28(30-27(26)32)33-16-25(31)22-13-12-18(3)14-19(22)4/h5-14,17H,15-16H2,1-4H3,(H,29,30,32)
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n/an/a 240n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(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 250n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404255
PNG
(CHEMBL108581)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C25H21ClN2O2S/c1-2-20-22(14-18-8-5-7-16-6-3-4-9-21(16)18)27-25(28-24(20)30)31-15-23(29)17-10-12-19(26)13-11-17/h3-13H,2,14-15H2,1H3,(H,27,28,30)
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n/an/a 260n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404262
PNG
(CHEMBL316773)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C26H23ClN2O2S/c1-16(2)24-22(14-19-8-5-7-17-6-3-4-9-21(17)19)28-26(29-25(24)31)32-15-23(30)18-10-12-20(27)13-11-18/h3-13,16H,14-15H2,1-2H3,(H,28,29,31)
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n/an/a 320n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404250
PNG
(CHEMBL320702)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2)[nH]c1=O
Show InChI InChI=1S/C26H24N2O2S/c1-3-21-23(15-20-9-6-8-18-7-4-5-10-22(18)20)27-26(28-25(21)30)31-16-24(29)19-13-11-17(2)12-14-19/h4-14H,3,15-16H2,1-2H3,(H,27,28,30)
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n/an/a 320n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404247
PNG
(CHEMBL107606)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
Show InChI InChI=1S/C25H22N2O3S/c1-16-22(14-19-8-5-7-17-6-3-4-9-21(17)19)26-25(27-24(16)29)31-15-23(28)18-10-12-20(30-2)13-11-18/h3-13H,14-15H2,1-2H3,(H,26,27,29)
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n/an/a 370n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404251
PNG
(CHEMBL321980)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(C)=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S/c1-13(2)19-18(22-21(23-20(19)25)26-12-14(3)24)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13H,11-12H2,1-3H3,(H,22,23,25)
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n/an/a 410n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404263
PNG
(CHEMBL106661)
Show SMILES Cc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C24H19ClN2O2S/c1-15-21(13-18-7-4-6-16-5-2-3-8-20(16)18)26-24(27-23(15)29)30-14-22(28)17-9-11-19(25)12-10-17/h2-12H,13-14H2,1H3,(H,26,27,29)
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n/an/a 550n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404259
PNG
(CHEMBL321026)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
Show InChI InChI=1S/C25H22N2O2S/c1-16-10-12-19(13-11-16)23(28)15-30-25-26-22(17(2)24(29)27-25)14-20-8-5-7-18-6-3-4-9-21(18)20/h3-13H,14-15H2,1-2H3,(H,26,27,29)
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n/an/a 670n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404267
PNG
(CHEMBL106204)
Show SMILES CC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
Show InChI InChI=1S/C19H18N2O2S/c1-12(22)11-24-19-20-17(13(2)18(23)21-19)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-11H2,1-2H3,(H,20,21,23)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404258
PNG
(CHEMBL320056)
Show SMILES CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C22H24N2O3S/c1-4-27-19(25)13-28-22-23-18(20(14(2)3)21(26)24-22)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,26)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404264
PNG
(CHEMBL108647)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2C)[nH]c1=O
Show InChI InChI=1S/C28H28N2O2S/c1-17(2)26-24(15-21-10-7-9-20-8-5-6-11-23(20)21)29-28(30-27(26)32)33-16-25(31)22-13-12-18(3)14-19(22)4/h5-14,17H,15-16H2,1-4H3,(H,29,30,32)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404249
PNG
(CHEMBL107562)
Show SMILES COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C21H22N2O3S/c1-13(2)19-17(22-21(23-20(19)25)27-12-18(24)26-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3,(H,22,23,25)
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n/an/a 4.49E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404266
PNG
(CHEMBL110328)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)OC)[nH]c1=O
Show InChI InChI=1S/C20H20N2O3S/c1-3-15-17(21-20(22-19(15)24)26-12-18(23)25-2)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,3,11-12H2,1-2H3,(H,21,22,24)
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n/an/a 4.72E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50004152
PNG
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
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n/an/a 5.06E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
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n/an/a 5.37E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404254
PNG
(CHEMBL108396)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C27H26N2O3S/c1-17(2)25-23(15-20-9-6-8-18-7-4-5-10-22(18)20)28-27(29-26(25)31)33-16-24(30)19-11-13-21(32-3)14-12-19/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)
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n/an/a 5.82E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404257
PNG
(CHEMBL108196)
Show SMILES COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
Show InChI InChI=1S/C19H18N2O3S/c1-12-16(20-19(21-18(12)23)25-11-17(22)24-2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-11H2,1-2H3,(H,20,21,23)
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n/an/a 6.99E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404256
PNG
(CHEMBL108605)
Show SMILES CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
Show InChI InChI=1S/C20H20N2O3S/c1-3-25-18(23)12-26-20-21-17(13(2)19(24)22-20)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12H2,1-2H3,(H,21,22,24)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
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n/an/a 7.15E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404265
PNG
(CHEMBL431868)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C26H24N2O2S/c1-17(2)24-22(15-20-13-8-12-18-9-6-7-14-21(18)20)27-26(28-25(24)30)31-16-23(29)19-10-4-3-5-11-19/h3-14,17H,15-16H2,1-2H3,(H,27,28,30)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404248
PNG
(CHEMBL107180)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1S/C25H21FN2O2S/c1-2-20-22(14-18-8-5-7-16-6-3-4-9-21(16)18)27-25(28-24(20)30)31-15-23(29)17-10-12-19(26)13-11-17/h3-13H,2,14-15H2,1H3,(H,27,28,30)
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n/an/a 2.42E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404251
PNG
(CHEMBL321980)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(C)=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S/c1-13(2)19-18(22-21(23-20(19)25)26-12-14(3)24)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13H,11-12H2,1-3H3,(H,22,23,25)
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n/an/a>4.31E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404255
PNG
(CHEMBL108581)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C25H21ClN2O2S/c1-2-20-22(14-18-8-5-7-16-6-3-4-9-21(16)18)27-25(28-24(20)30)31-15-23(29)17-10-12-19(26)13-11-17/h3-13H,2,14-15H2,1H3,(H,27,28,30)
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n/an/a>5.60E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404258
PNG
(CHEMBL320056)
Show SMILES CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C22H24N2O3S/c1-4-27-19(25)13-28-22-23-18(20(14(2)3)21(26)24-22)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,26)
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n/an/a>1.75E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404253
PNG
(CHEMBL440706)
Show SMILES CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O
Show InChI InChI=1S/C26H24N2O3S/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)27-26(28-25(21)30)32-16-24(29)18-11-13-20(31-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,28,30)
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n/an/a>1.78E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404249
PNG
(CHEMBL107562)
Show SMILES COC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C21H22N2O3S/c1-13(2)19-17(22-21(23-20(19)25)27-12-18(24)26-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3,(H,22,23,25)
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n/an/a>1.79E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404261
PNG
(CHEMBL324237)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1S/C26H23FN2O2S/c1-16(2)24-22(14-19-8-5-7-17-6-3-4-9-21(17)19)28-26(29-25(24)31)32-15-23(30)18-10-12-20(27)13-11-18/h3-13,16H,14-15H2,1-2H3,(H,28,29,31)
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n/an/a 1.88E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50404262
PNG
(CHEMBL316773)
Show SMILES CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C26H23ClN2O2S/c1-16(2)24-22(14-19-8-5-7-17-6-3-4-9-21(17)19)28-26(29-25(24)31)32-15-23(30)18-10-12-20(27)13-11-18/h3-13,16H,14-15H2,1-2H3,(H,28,29,31)
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n/an/a>2.70E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50004152
PNG
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
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n/an/a>4.05E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells

Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%