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PubMed code 16621553

Compile data set for download or QSAR
Found 52 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)
BDBM50411080
PNG
(CHEMBL379575)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12F4N2OS/c1-9-15(8-11-12(20)3-2-4-13(11)21)23-18(24-17(9)25)26-16-6-5-10(19)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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PubMed
n/an/an/an/a>6.58E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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/an/an/a 52n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411076
PNG
(CHEMBL210820)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12Cl2F2N2OS/c1-9-15(8-11-12(19)3-2-4-13(11)20)23-18(24-17(9)25)26-16-6-5-10(21)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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n/an/an/an/a>6.05E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411077
PNG
(CHEMBL212430)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14F2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a 1.67E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411080
PNG
(CHEMBL379575)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12F4N2OS/c1-9-15(8-11-12(20)3-2-4-13(11)21)23-18(24-17(9)25)26-16-6-5-10(19)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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n/an/an/an/a>6.58E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411077
PNG
(CHEMBL212430)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14F2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a 4.25E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411079
PNG
(CHEMBL379190)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(cc2)C#N)[nH]c1=O
Show InChI InChI=1S/C19H13Cl2N3OS/c1-11-17(9-14-15(20)3-2-4-16(14)21)23-19(24-18(11)25)26-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H,23,24,25)
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n/an/an/an/a 5.10E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y181C mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 2.72E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411075
PNG
(CHEMBL208593)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C18H13ClF2N2OS/c1-10-16(9-13-14(20)3-2-4-15(13)21)22-18(23-17(10)24)25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,22,23,24)
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n/an/an/an/a>6.61E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411079
PNG
(CHEMBL379190)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(cc2)C#N)[nH]c1=O
Show InChI InChI=1S/C19H13Cl2N3OS/c1-11-17(9-14-15(20)3-2-4-16(14)21)23-19(24-18(11)25)26-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H,23,24,25)
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n/an/an/an/a>2.76E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411081
PNG
(CHEMBL208918)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a>6.63E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411079
PNG
(CHEMBL379190)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(cc2)C#N)[nH]c1=O
Show InChI InChI=1S/C19H13Cl2N3OS/c1-11-17(9-14-15(20)3-2-4-16(14)21)23-19(24-18(11)25)26-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H,23,24,25)
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n/an/an/an/a>2.76E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411079
PNG
(CHEMBL379190)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(cc2)C#N)[nH]c1=O
Show InChI InChI=1S/C19H13Cl2N3OS/c1-11-17(9-14-15(20)3-2-4-16(14)21)23-19(24-18(11)25)26-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H,23,24,25)
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n/an/an/an/a>2.76E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411075
PNG
(CHEMBL208593)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C18H13ClF2N2OS/c1-10-16(9-13-14(20)3-2-4-15(13)21)22-18(23-17(10)24)25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,22,23,24)
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n/an/an/an/a 8.01E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411074
PNG
(CHEMBL211344)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>6.14E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y181C mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411079
PNG
(CHEMBL379190)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(cc2)C#N)[nH]c1=O
Show InChI InChI=1S/C19H13Cl2N3OS/c1-11-17(9-14-15(20)3-2-4-16(14)21)23-19(24-18(11)25)26-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H,23,24,25)
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n/an/an/an/a 2.49E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 6.52E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y181C mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411076
PNG
(CHEMBL210820)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12Cl2F2N2OS/c1-9-15(8-11-12(19)3-2-4-13(11)20)23-18(24-17(9)25)26-16-6-5-10(21)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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n/an/an/an/a 4.47E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411074
PNG
(CHEMBL211344)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 2.65E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411074
PNG
(CHEMBL211344)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>6.14E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
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/an/an/a 57n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411075
PNG
(CHEMBL208593)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C18H13ClF2N2OS/c1-10-16(9-13-14(20)3-2-4-15(13)21)22-18(23-17(10)24)25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,22,23,24)
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n/an/an/an/a>6.61E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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/an/an/a>7.50E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411080
PNG
(CHEMBL379575)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12F4N2OS/c1-9-15(8-11-12(20)3-2-4-13(11)21)23-18(24-17(9)25)26-16-6-5-10(19)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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n/an/an/an/a 2.58E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411080
PNG
(CHEMBL379575)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12F4N2OS/c1-9-15(8-11-12(20)3-2-4-13(11)21)23-18(24-17(9)25)26-16-6-5-10(19)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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n/an/an/an/a 310n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411081
PNG
(CHEMBL208918)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a 4.91E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>6.13E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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/an/an/a 3.90E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411074
PNG
(CHEMBL211344)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>6.14E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>6.17E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411076
PNG
(CHEMBL210820)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12Cl2F2N2OS/c1-9-15(8-11-12(19)3-2-4-13(11)20)23-18(24-17(9)25)26-16-6-5-10(21)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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n/an/an/an/a 3.36E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411078
PNG
(CHEMBL211326)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1
Show InChI InChI=1S/C18H15Cl2N3O2S/c1-10-15(8-12-13(19)4-3-5-14(12)20)22-18(23-17(10)24)26-11-6-7-16(25-2)21-9-11/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 8.68E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411081
PNG
(CHEMBL208918)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a>6.63E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411073
PNG
(CHEMBL211343)
Show SMILES COc1ccc(Sc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16F2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 670n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411081
PNG
(CHEMBL208918)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a 1.21E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y181C mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411073
PNG
(CHEMBL211343)
Show SMILES COc1ccc(Sc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16F2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>5.75E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411073
PNG
(CHEMBL211343)
Show SMILES COc1ccc(Sc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16F2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>5.75E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411073
PNG
(CHEMBL211343)
Show SMILES COc1ccc(Sc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16F2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>5.75E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411077
PNG
(CHEMBL212430)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14F2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a 90n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
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/an/an/a 1n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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PubMed
n/an/an/an/a 3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411076
PNG
(CHEMBL210820)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(F)cc2F)[nH]c1=O
Show InChI InChI=1S/C18H12Cl2F2N2OS/c1-9-15(8-11-12(19)3-2-4-13(11)20)23-18(24-17(9)25)26-16-6-5-10(21)7-14(16)22/h2-7H,8H2,1H3,(H,23,24,25)
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PubMed
n/an/an/an/a>6.05E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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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PubMed
n/an/an/an/a>7.50E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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PubMed
n/an/an/an/a 3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411081
PNG
(CHEMBL208918)
Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411077
PNG
(CHEMBL212430)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C18H14F2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22,23)
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n/an/an/an/a>7.27E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
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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PubMed
n/an/an/an/a 300n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411074
PNG
(CHEMBL211344)
Show SMILES COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11-17(10-14-15(20)4-3-5-16(14)21)22-19(23-18(11)24)26-13-8-6-12(25-2)7-9-13/h3-9H,10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a>6.14E+4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(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
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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PubMed
n/an/an/an/a 200n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411075
PNG
(CHEMBL208593)
Show SMILES Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(Cl)cc2)[nH]c1=O
Show InChI InChI=1S/C18H13ClF2N2OS/c1-10-16(9-13-14(20)3-2-4-15(13)21)22-18(23-17(10)24)25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,22,23,24)
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PubMed
n/an/an/an/a 100n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay


Bioorg Med Chem Lett 16: 3541-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.080
BindingDB Entry DOI: 10.7270/Q22Z16RM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%