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PubMed code 9435895

Compile data set for download or QSAR
Found 90 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004118
PNG
(1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-2-thio...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=S
Show InChI InChI=1S/C16H20N2O2S2/c1-4-20-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)21/h5-9,11H,4,10H2,1-3H3,(H,17,19,21)
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n/an/an/an/a 14n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004126
PNG
(5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-1H-p...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H18N2O3S/c1-2-21-10-18-15(22-12-6-4-3-5-7-12)13(11-8-9-11)14(19)17-16(18)20/h3-7,11H,2,8-10H2,1H3,(H,17,19,20)
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n/an/an/an/a 100n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032235
PNG
(6-(3,5-Dimethyl-benzyl)-1-ethoxymethyl-5-ethyl-1H-...)
Show SMILES CCOCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O3/c1-5-15-16(10-14-8-12(3)7-13(4)9-14)20(11-23-6-2)18(22)19-17(15)21/h7-9H,5-6,10-11H2,1-4H3,(H,19,21,22)
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n/an/an/an/a 1.60n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008328
PNG
(6-(3-Fluoro-phenylsulfanyl)-1-(2-hydroxy-ethoxymet...)
Show SMILES Cc1c(Sc2cccc(F)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15FN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008341
PNG
(6-(3-Bromo-phenylsulfanyl)-1-(2-hydroxy-ethoxymeth...)
Show SMILES Cc1c(Sc2cccc(Br)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15BrN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 5.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004121
PNG
(1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-2-thiox...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C20H20N2O2S2/c1-2-17-18(23)21-20(25)22(14-24-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,25)
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n/an/an/an/a 7.80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004146
PNG
(5-Methyl-6-phenylsulfanyl-1-propoxymethyl-1H-pyrim...)
Show SMILES CCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O3S/c1-3-9-20-10-17-14(11(2)13(18)16-15(17)19)21-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004117
PNG
(1-Ethoxymethyl-5-ethyl-6-phenylsulfanyl-2-thioxo-2...)
Show SMILES CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=S
Show InChI InChI=1S/C15H18N2O2S2/c1-3-12-13(18)16-15(20)17(10-19-4-2)14(12)21-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,20)
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n/an/an/an/a 26n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058311
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-((E)-3-p...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H24N2O2S/c1-4-20-21(26)24-23(27)25(12-8-11-18-9-6-5-7-10-18)22(20)28-19-14-16(2)13-17(3)15-19/h5-11,13-15H,4,12H2,1-3H3,(H,24,26,27)/b11-8+
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n/an/an/an/a 39n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004141
PNG
(1-Benzyloxymethyl-6-(3,5-dimethyl-phenylsulfanyl)-...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C22H24N2O2S2/c1-4-19-20(25)23-22(27)24(14-26-13-17-8-6-5-7-9-17)21(19)28-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,23,25,27)
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n/an/an/an/a 6.90n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2337
PNG
(6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...)
Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
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n/an/an/an/a 4.20n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004129
PNG
(1-Ethoxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyrimid...)
Show SMILES CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O3S/c1-3-12-13(18)16-15(19)17(10-20-4-2)14(12)21-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 19n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008319
PNG
(6-(3-Acetyl-phenylsulfanyl)-1-(2-hydroxy-ethoxymet...)
Show SMILES CC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C16H18N2O5S/c1-10-14(21)17-16(22)18(9-23-7-6-19)15(10)24-13-5-3-4-12(8-13)11(2)20/h3-5,8,19H,6-7,9H2,1-2H3,(H,17,21,22)
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n/an/an/an/a 7.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061692
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-(2-hydro...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C17H22N2O3S2/c1-4-14-15(21)18-17(23)19(10-22-6-5-20)16(14)24-13-8-11(2)7-12(3)9-13/h7-9,20H,4-6,10H2,1-3H3,(H,18,21,23)
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n/an/an/an/a 7.80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061698
PNG
(5-Ethyl-1-(3-phenyl-propyl)-6-phenylsulfanyl-1H-py...)
Show SMILES CCc1c(Sc2ccccc2)n(CCCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S/c1-2-18-19(24)22-21(25)23(15-9-12-16-10-5-3-6-11-16)20(18)26-17-13-7-4-8-14-17/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H,22,24,25)
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n/an/an/an/a 290n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008304
PNG
(6-(3-tert-Butyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1c(Sc2cccc(c2)C(C)(C)C)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O4S/c1-12-15(22)19-17(23)20(11-24-9-8-21)16(12)25-14-7-5-6-13(10-14)18(2,3)4/h5-7,10,21H,8-9,11H2,1-4H3,(H,19,22,23)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008310
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-(2-hydro...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O4S/c1-4-14-15(21)18-17(22)19(10-23-6-5-20)16(14)24-13-8-11(2)7-12(3)9-13/h7-9,20H,4-6,10H2,1-3H3,(H,18,21,22)
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n/an/an/an/a 13n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004125
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-1-ethoxymethyl-5-e...)
Show SMILES CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=S
Show InChI InChI=1S/C15H16Cl2N2O2S2/c1-3-12-13(20)18-15(22)19(8-21-4-2)14(12)23-11-6-9(16)5-10(17)7-11/h5-7H,3-4,8H2,1-2H3,(H,18,20,22)
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n/an/an/an/a 13n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032247
PNG
(6-Benzyl-1-ethoxymethyl-5-ethyl-1H-pyrimidine-2,4-...)
Show SMILES CCOCn1c(Cc2ccccc2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3/c1-3-13-14(10-12-8-6-5-7-9-12)18(11-21-4-2)16(20)17-15(13)19/h5-9H,3-4,10-11H2,1-2H3,(H,17,19,20)
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n/an/an/an/a 41n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058301
PNG
(5-Ethyl-1-((E)-3-furan-2-yl-allyl)-6-phenylsulfany...)
Show SMILES CCc1c(Sc2ccccc2)n(C\C=C\c2ccco2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-2-16-17(22)20-19(23)21(12-6-8-14-9-7-13-24-14)18(16)25-15-10-4-3-5-11-15/h3-11,13H,2,12H2,1H3,(H,20,22,23)/b8-6+
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n/an/an/an/a 170n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058323
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-((E)-3-f...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccco2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-4-18-19(24)22-21(25)23(9-5-7-16-8-6-10-26-16)20(18)27-17-12-14(2)11-15(3)13-17/h5-8,10-13H,4,9H2,1-3H3,(H,22,24,25)/b7-5+
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n/an/an/an/a 40n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004124
PNG
(1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyri...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H20N2O3S/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,24)
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n/an/an/an/a 5.90n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008331
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-(3-nitro-phe...)
Show SMILES Cc1c(Sc2cccc(c2)[N+]([O-])=O)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-9-12(19)15-14(20)16(8-23-6-5-18)13(9)24-11-4-2-3-10(7-11)17(21)22/h2-4,7,18H,5-6,8H2,1H3,(H,15,19,20)
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n/an/an/an/a 3.40E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008303
PNG
(5-Ethyl-1-(2-hydroxy-ethoxymethyl)-6-phenylsulfany...)
Show SMILES CCc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O4S/c1-2-12-13(19)16-15(20)17(10-21-9-8-18)14(12)22-11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,16,19,20)
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n/an/an/an/a 110n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004138
PNG
(1-Benzyloxymethyl-6-(3,5-dimethyl-phenylsulfanyl)-...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N2O3S/c1-4-19-20(25)23-22(26)24(14-27-13-17-8-6-5-7-9-17)21(19)28-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,23,25,26)
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n/an/an/an/a 3.20n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008318
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H14Cl2N2O4S/c1-8-12(20)17-14(21)18(7-22-3-2-19)13(8)23-11-5-9(15)4-10(16)6-11/h4-6,19H,2-3,7H2,1H3,(H,17,20,21)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004143
PNG
(5-Ethyl-1-isobutyl-6-phenylsulfanyl-2-thioxo-2,3-d...)
Show SMILES CCc1c(Sc2ccccc2)n(CC(C)C)c(=S)[nH]c1=O
Show InChI InChI=1S/C16H20N2OS2/c1-4-13-14(19)17-16(20)18(10-11(2)3)15(13)21-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
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n/an/an/an/a 220n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004150
PNG
(1-Cyclohexylmethoxymethyl-5-ethyl-6-phenylsulfanyl...)
Show SMILES CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=S)[nH]c1=O
Show InChI InChI=1S/C20H26N2O2S2/c1-2-17-18(23)21-20(25)22(14-24-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23,25)
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n/an/an/an/a 350n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008305
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-(2-nitro-phe...)
Show SMILES Cc1c(Sc2ccccc2[N+]([O-])=O)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-9-12(19)15-14(20)16(8-23-7-6-18)13(9)24-11-5-3-2-4-10(11)17(21)22/h2-5,18H,6-8H2,1H3,(H,15,19,20)
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n/an/an/an/a 1.40E+5n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008324
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-(2-methoxy-phenylsulf...)
Show SMILES COc1ccccc1Sc1c(C)c(=O)[nH]c(=O)n1COCCO
Show InChI InChI=1S/C15H18N2O5S/c1-10-13(19)16-15(20)17(9-22-8-7-18)14(10)23-12-6-4-3-5-11(12)21-2/h3-6,18H,7-9H2,1-2H3,(H,16,19,20)
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n/an/an/an/a 1.90E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM10904
PNG
(1-[(benzyloxy)methyl]-5-methyl-6-(phenylsulfanyl)-...)
Show SMILES Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-14-17(22)20-19(23)21(13-24-12-15-8-4-2-5-9-15)18(14)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,22,23)
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n/an/an/an/a 88n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004122
PNG
(5-Ethyl-1-phenethyloxymethyl-6-phenylsulfanyl-1H-p...)
Show SMILES CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-2-18-19(24)22-21(25)23(20(18)27-17-11-7-4-8-12-17)15-26-14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,25)
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n/an/an/an/a 96n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004149
PNG
(5-Ethyl-1-phenethyloxymethyl-6-phenylsulfanyl-2-th...)
Show SMILES CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S2/c1-2-18-19(24)22-21(26)23(20(18)27-17-11-7-4-8-12-17)15-25-14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,26)
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n/an/an/an/a 91n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008329
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O4S/c1-11(2)15-16(22)19-18(23)20(10-24-6-5-21)17(15)25-14-8-12(3)7-13(4)9-14/h7-9,11,21H,5-6,10H2,1-4H3,(H,19,22,23)
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n/an/an/an/a 2.70n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008333
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-isopropyl-6-phenylsul...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O4S/c1-11(2)13-14(20)17-16(21)18(10-22-9-8-19)15(13)23-12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,17,20,21)
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n/an/an/an/a 63n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004148
PNG
(1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-1H-...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)18-19(24)22-21(25)23(14-26-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,25)
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n/an/an/an/a 2.70n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008330
PNG
(3-[3-(2-Hydroxy-ethoxymethyl)-5-methyl-2,6-dioxo-1...)
Show SMILES COC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C16H18N2O6S/c1-10-13(20)17-16(22)18(9-24-7-6-19)14(10)25-12-5-3-4-11(8-12)15(21)23-2/h3-5,8,19H,6-7,9H2,1-2H3,(H,17,20,22)
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n/an/an/an/a 7.90E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061694
PNG
(6-Benzyl-5-isopropyl-1-aurus-1H-pyrimidine-2,4-dio...)
Show SMILES CC(C)c1c(Cc2ccccc2)n([Au])c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O2.Au/c1-9(2)12-11(15-14(18)16-13(12)17)8-10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18);/q;+1/p-1
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n/an/an/an/a 42n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008335
PNG
(6-(3-Ethyl-phenylsulfanyl)-1-(2-hydroxy-ethoxymeth...)
Show SMILES CCc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C16H20N2O4S/c1-3-12-5-4-6-13(9-12)23-15-11(2)14(20)17-16(21)18(15)10-22-8-7-19/h4-6,9,19H,3,7-8,10H2,1-2H3,(H,17,20,21)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008336
PNG
(6-(3-Chloro-phenylsulfanyl)-1-(2-hydroxy-ethoxymet...)
Show SMILES Cc1c(Sc2cccc(Cl)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15ClN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032239
PNG
(6-Benzyl-5-isopropyl-1-(2-methoxy-ethyl)-1H-pyrimi...)
Show SMILES COCCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-12(2)15-14(11-13-7-5-4-6-8-13)19(9-10-22-3)17(21)18-16(15)20/h4-8,12H,9-11H2,1-3H3,(H,18,20,21)
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n/an/an/an/a 52n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004136
PNG
(1-Ethyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,...)
Show SMILES CCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O2S/c1-3-15-12(9(2)11(16)14-13(15)17)18-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,16,17)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004128
PNG
(5-Ethyl-1-(4-methyl-benzyloxymethyl)-6-phenylsulfa...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccc(C)cc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S2/c1-3-18-19(24)22-21(26)23(20(18)27-17-7-5-4-6-8-17)14-25-13-16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,22,24,26)
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n/an/an/an/a 78n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004134
PNG
(1-Methoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrim...)
Show SMILES COCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O3S/c1-9-11(16)14-13(17)15(8-18-2)12(9)19-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,16,17)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50010990
PNG
(6-Benzyl-1-(2-hydroxy-ethoxymethyl)-5-methyl-1H-py...)
Show SMILES Cc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O4/c1-11-13(9-12-5-3-2-4-6-12)17(10-21-8-7-18)15(20)16-14(11)19/h2-6,18H,7-10H2,1H3,(H,16,19,20)
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n/an/an/an/a 5.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008297
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-(3-hydroxy-phenylsulf...)
Show SMILES Cc1c(Sc2cccc(O)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O5S/c1-9-12(19)15-14(20)16(8-21-6-5-17)13(9)22-11-4-2-3-10(18)7-11/h2-4,7,17-18H,5-6,8H2,1H3,(H,15,19,20)
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n/an/an/an/a 8.20E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011000
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-iodo-6-phenylsulfanyl...)
Show SMILES OCCOCn1c(Sc2ccccc2)c(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13IN2O4S/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061701
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-isopropyl-6-phenylsul...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3S2/c1-11(2)13-14(20)17-16(22)18(10-21-9-8-19)15(13)23-12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,17,20,22)
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n/an/an/an/a 59n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058314
PNG
(5-Ethyl-1-((E)-3-phenyl-allyl)-6-phenylsulfanyl-1H...)
Show SMILES CCc1c(Sc2ccccc2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H20N2O2S/c1-2-18-19(24)22-21(25)23(15-9-12-16-10-5-3-6-11-16)20(18)26-17-13-7-4-8-14-17/h3-14H,2,15H2,1H3,(H,22,24,25)/b12-9+
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n/an/an/an/a 190n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50010998
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenoxy-1H-p...)
Show SMILES Cc1c(Oc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O5/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/an/an/a 8.90E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004116
PNG
(1-Cyclohexyloxymethyl-5-ethyl-6-phenylsulfanyl-1H-...)
Show SMILES CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H24N2O3S/c1-2-16-17(22)20-19(23)21(13-24-14-9-5-3-6-10-14)18(16)25-15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,20,22,23)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004147
PNG
(1-(4-Chloro-benzyloxymethyl)-5-ethyl-6-phenylsulfa...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccc(Cl)cc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C20H19ClN2O2S2/c1-2-17-18(24)22-20(26)23(19(17)27-16-6-4-3-5-7-16)13-25-12-14-8-10-15(21)11-9-14/h3-11H,2,12-13H2,1H3,(H,22,24,26)
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n/an/an/an/a 12n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032246
PNG
(6-Benzyl-5-ethyl-1-(2-methoxy-ethyl)-1H-pyrimidine...)
Show SMILES CCc1c(Cc2ccccc2)n(CCOC)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3/c1-3-13-14(11-12-7-5-4-6-8-12)18(9-10-21-2)16(20)17-15(13)19/h4-8H,3,9-11H2,1-2H3,(H,17,19,20)
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n/an/an/an/a 250n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058304
PNG
(5-Methyl-1-((E)-3-phenyl-allyl)-6-phenylsulfanyl-1...)
Show SMILES Cc1c(Sc2ccccc2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H18N2O2S/c1-15-18(23)21-20(24)22(14-8-11-16-9-4-2-5-10-16)19(15)25-17-12-6-3-7-13-17/h2-13H,14H2,1H3,(H,21,23,24)/b11-8+
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n/an/an/an/a 2.50E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008337
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-(3-trifluoro...)
Show SMILES Cc1c(Sc2cccc(c2)C(F)(F)F)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H15F3N2O4S/c1-9-12(22)19-14(23)20(8-24-6-5-21)13(9)25-11-4-2-3-10(7-11)15(16,17)18/h2-4,7,21H,5-6,8H2,1H3,(H,19,22,23)
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n/an/an/an/a 4.50E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50010989
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-phenylsulfanyl-5-viny...)
Show SMILES OCCOCn1c(Sc2ccccc2)c(C=C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16N2O4S/c1-2-12-13(19)16-15(20)17(10-21-9-8-18)14(12)22-11-6-4-3-5-7-11/h2-7,18H,1,8-10H2,(H,16,19,20)
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n/an/an/an/a 4.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032238
PNG
(6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPY...)
Show SMILES CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
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n/an/an/an/a 0.600n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008326
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-o-tolylsulfa...)
Show SMILES Cc1ccccc1Sc1c(C)c(=O)[nH]c(=O)n1COCCO
Show InChI InChI=1S/C15H18N2O4S/c1-10-5-3-4-6-12(10)22-14-11(2)13(19)16-15(20)17(14)9-21-8-7-18/h3-6,18H,7-9H2,1-2H3,(H,16,19,20)
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n/an/an/an/a 7.10E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004119
PNG
(1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-1H-pyr...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
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n/an/an/an/a 12n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008342
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-(3-methoxy-phenylsulf...)
Show SMILES COc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C15H18N2O5S/c1-10-13(19)16-15(20)17(9-22-7-6-18)14(10)23-12-5-3-4-11(8-12)21-2/h3-5,8,18H,6-7,9H2,1-2H3,(H,16,19,20)
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n/an/an/an/a 2.20E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061699
PNG
(6-Benzyl-5-ethyl-1-aurus-1H-pyrimidine-2,4-dione |...)
Show SMILES CCc1c(Cc2ccccc2)n([Au])c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O2.Au/c1-2-10-11(14-13(17)15-12(10)16)8-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3,(H2,14,15,16,17);/q;+1/p-1
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n/an/an/an/a 210n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004139
PNG
(1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-2-t...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S2/c1-15(2)18-19(24)22-21(26)23(14-25-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,26)
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n/an/an/an/a 6.80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032237
PNG
(6-Benzyl-1-(2-hydroxy-ethoxymethyl)-5-isopropyl-1H...)
Show SMILES CC(C)c1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O4/c1-12(2)15-14(10-13-6-4-3-5-7-13)19(11-23-9-8-20)17(22)18-16(15)21/h3-7,12,20H,8-11H2,1-2H3,(H,18,21,22)
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n/an/an/an/a 63n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008325
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-(3-iodo-phenylsulfany...)
Show SMILES Cc1c(Sc2cccc(I)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15IN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004145
PNG
(1-Cyclohexyloxymethyl-5-ethyl-6-phenylsulfanyl-2-t...)
Show SMILES CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=S)[nH]c1=O
Show InChI InChI=1S/C19H24N2O2S2/c1-2-16-17(22)20-19(24)21(13-23-14-9-5-3-6-10-14)18(16)25-15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,20,22,24)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008299
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-5-ethyl-1-(2-hydro...)
Show SMILES CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16Cl2N2O4S/c1-2-12-13(21)18-15(22)19(8-23-4-3-20)14(12)24-11-6-9(16)5-10(17)7-11/h5-7,20H,2-4,8H2,1H3,(H,18,21,22)
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n/an/an/an/a 14n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061700
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=S)n2COCCO)c1
Show InChI InChI=1S/C16H20N2O3S2/c1-10-6-11(2)8-13(7-10)23-15-12(3)14(20)17-16(22)18(15)9-21-5-4-19/h6-8,19H,4-5,9H2,1-3H3,(H,17,20,22)
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n/an/an/an/a 220n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008320
PNG
(3-[3-(2-Hydroxy-ethoxymethyl)-5-methyl-2,6-dioxo-1...)
Show SMILES Cc1c(Sc2cccc(c2)C#N)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H15N3O4S/c1-10-13(20)17-15(21)18(9-22-6-5-19)14(10)23-12-4-2-3-11(7-12)8-16/h2-4,7,19H,5-6,9H2,1H3,(H,17,20,21)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061695
PNG
(CHEMBL335267 | GENERIC INORGANIC CATION; (5-methyl...)
Show SMILES Cc1c(Sc2ccccc2)n(C[O-])c(=O)[nH]c1=O
Show InChI InChI=1S/C12H11N2O3S/c1-8-10(16)13-12(17)14(7-15)11(8)18-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,16,17)/q-1
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n/an/an/an/a 4.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032236
PNG
(6-(3,5-Dimethyl-benzyl)-1-(2-hydroxy-ethoxymethyl)...)
Show SMILES CC(C)c1c(Cc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H26N2O4/c1-12(2)17-16(10-15-8-13(3)7-14(4)9-15)21(11-25-6-5-22)19(24)20-18(17)23/h7-9,12,22H,5-6,10-11H2,1-4H3,(H,20,23,24)
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n/an/an/an/a 2.70n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008317
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-p-tolylsulfa...)
Show SMILES Cc1ccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)cc1
Show InChI InChI=1S/C15H18N2O4S/c1-10-3-5-12(6-4-10)22-14-11(2)13(19)16-15(20)17(14)9-21-8-7-18/h3-6,18H,7-9H2,1-2H3,(H,16,19,20)
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n/an/an/an/a 2.20E+5n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004114
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-ethoxymethyl-5-e...)
Show SMILES CCOCn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O3S/c1-5-14-15(20)18-17(21)19(10-22-6-2)16(14)23-13-8-11(3)7-12(4)9-13/h7-9H,5-6,10H2,1-4H3,(H,18,20,21)
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n/an/an/an/a 54n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004151
PNG
(1-Ethoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrimi...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-9-16-13(10(2)12(17)15-14(16)18)20-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17,18)
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n/an/an/an/a 330n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061697
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C18H24N2O3S2/c1-11(2)15-16(22)19-18(24)20(10-23-6-5-21)17(15)25-14-8-12(3)7-13(4)9-14/h7-9,11,21H,5-6,10H2,1-4H3,(H,19,22,24)
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n/an/an/an/a 5n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004131
PNG
(1-Cyclohexylmethoxymethyl-5-ethyl-6-phenylsulfanyl...)
Show SMILES CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H26N2O3S/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23,24)
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n/an/an/an/a 450n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061693
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-5-ethyl-1-(2-hydro...)
Show SMILES CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C15H16Cl2N2O3S2/c1-2-12-13(21)18-15(23)19(8-22-4-3-20)14(12)24-11-6-9(16)5-10(17)7-11/h5-7,20H,2-4,8H2,1H3,(H,18,21,23)
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n/an/an/an/a 43n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032244
PNG
(6-(3,5-Dimethyl-benzyl)-5-ethyl-1-(2-hydroxy-ethox...)
Show SMILES CCc1c(Cc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O4/c1-4-15-16(10-14-8-12(2)7-13(3)9-14)20(11-24-6-5-21)18(23)19-17(15)22/h7-9,21H,4-6,10-11H2,1-3H3,(H,19,22,23)
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n/an/an/an/a 13n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008321
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C16H20N2O4S/c1-10-6-11(2)8-13(7-10)23-15-12(3)14(20)17-16(21)18(15)9-22-5-4-19/h6-8,19H,4-5,9H2,1-3H3,(H,17,20,21)
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n/an/an/an/a 260n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004115
PNG
(5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-2-th...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=S
Show InChI InChI=1S/C16H18N2O2S2/c1-2-20-10-18-15(22-12-6-4-3-5-7-12)13(11-8-9-11)14(19)17-16(18)21/h3-7,11H,2,8-10H2,1H3,(H,17,19,21)
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n/an/an/an/a 95n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004133
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-1-ethoxymethyl-5-e...)
Show SMILES CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16Cl2N2O3S/c1-3-12-13(20)18-15(21)19(8-22-4-2)14(12)23-11-6-9(16)5-10(17)7-11/h5-7H,3-4,8H2,1-2H3,(H,18,20,21)
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n/an/an/an/a 7.40n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004123
PNG
(1-(2-Methoxy-ethoxymethyl)-5-methyl-6-phenylsulfan...)
Show SMILES COCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O4S/c1-11-13(18)16-15(19)17(10-21-9-8-20-2)14(11)22-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 8.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061696
PNG
(5-Ethyl-1-isobutyl-6-phenylsulfanyl-1H-pyrimidine-...)
Show SMILES CCc1c(Sc2ccccc2)n(CC(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O2S/c1-4-13-14(19)17-16(20)18(10-11(2)3)15(13)21-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
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n/an/an/an/a 340n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004132
PNG
(1-Butyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,...)
Show SMILES CCCCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O2S/c1-3-4-10-17-14(11(2)13(18)16-15(17)19)20-12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061691
PNG
(6-(4-Cyclohexyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1c(Sc2ccc(cc2)C2CCCCC2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H26N2O4S/c1-14-18(24)21-20(25)22(13-26-12-11-23)19(14)27-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,23H,2-6,11-13H2,1H3,(H,21,24,25)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032242
PNG
(6-Benzyl-5-ethyl-1-(2-hydroxy-ethoxymethyl)-1H-pyr...)
Show SMILES CCc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O4/c1-2-13-14(10-12-6-4-3-5-7-12)18(11-22-9-8-19)16(21)17-15(13)20/h3-7,19H,2,8-11H2,1H3,(H,17,20,21)
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n/an/an/an/a 350n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058327
PNG
(5-Ethyl-6-phenylsulfanyl-1-((E)-3-thiophen-2-yl-al...)
Show SMILES CCc1c(Sc2ccccc2)n(C\C=C\c2cccs2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O2S2/c1-2-16-17(22)20-19(23)21(12-6-10-14-11-7-13-24-14)18(16)25-15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,20,22,23)/b10-6+
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n/an/an/an/a 80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004127
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-ethoxymethyl-5-e...)
Show SMILES CCOCn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=S
Show InChI InChI=1S/C17H22N2O2S2/c1-5-14-15(20)18-17(22)19(10-21-6-2)16(14)23-13-8-11(3)7-12(4)9-13/h7-9H,5-6,10H2,1-4H3,(H,18,20,22)
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n/an/an/an/a 4.40n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058308
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-((E)-3-t...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2cccs2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S2/c1-4-18-19(24)22-21(25)23(9-5-7-16-8-6-10-26-16)20(18)27-17-12-14(2)11-15(3)13-17/h5-8,10-13H,4,9H2,1-3H3,(H,22,24,25)/b7-5+
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n/an/an/an/a 40n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008339
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-m-tolylsulfa...)
Show SMILES Cc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C15H18N2O4S/c1-10-4-3-5-12(8-10)22-14-11(2)13(19)16-15(20)17(14)9-21-7-6-18/h3-5,8,18H,6-7,9H2,1-2H3,(H,16,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.60E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058299
PNG
(5-Methyl-6-phenylsulfanyl-1-((E)-3-pyridin-3-yl-al...)
Show SMILES Cc1c(Sc2ccccc2)n(CC=Cc2cccnc2)c(=O)[nH]c1=O |w:13.14|
Show InChI InChI=1S/C19H17N3O2S/c1-14-17(23)21-19(24)22(12-6-8-15-7-5-11-20-13-15)18(14)25-16-9-3-2-4-10-16/h2-11,13H,12H2,1H3,(H,21,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%