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PubMed code 16527484

Compile data set for download or QSAR
Found 31 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)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 60n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184085
PNG
((2aR,7aR)-2-((R)-2-methyl-pyrrolidin-1-yl)-2aH-7-t...)
Show SMILES COC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OC)N1CCC[C@H]1C |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-11-7-6-10-20(11)16-14-12-8-4-5-9-13(12)25-19(14,18(22)24-3)15(16)17(21)23-2/h4-5,8-9,11,14H,6-7,10H2,1-3H3/t11-,14-,19-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184082
PNG
((R,R)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1]ben...)
Show SMILES COC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OC)N1CCCC1 |t:4|
Show InChI InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-,18-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
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/a 860n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184086
PNG
((R,R/S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCC1 |t:4|
Show InChI InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184096
PNG
((2aR,7aR)-2-((S)-2-Methyl-pyrrolidin-1-yl)-2aH-7-t...)
Show SMILES COC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OC)N1CCC[C@@H]1C |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-11-7-6-10-20(11)16-14-12-8-4-5-9-13(12)25-19(14,18(22)24-3)15(16)17(21)23-2/h4-5,8-9,11,14H,6-7,10H2,1-3H3/t11-,14+,19+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184089
PNG
((R,R/S,S)-2-(2,5-dihydro-pyrrol-1-yl)-2aH-7-thia-c...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CC=CC1 |c:24,t:4|
Show InChI InChI=1S/C18H17NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-8,13H,9-10H2,1-2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
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/a 5.75E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 6.65E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184091
PNG
((2aR,7aR)-2-piperidin-1-yl-2aH-7-thia-cyclobuta[a]...)
Show SMILES COC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OC)N1CCCCC1 |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-23-17(21)15-16(20-10-6-3-7-11-20)14-12-8-4-5-9-13(12)25-19(14,15)18(22)24-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3/t14-,19-/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184081
PNG
((R,R/S,S)-2-piperidin-1-yl-2aH-7-thia-cyclobuta[a]...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCCC1 |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-23-17(21)15-16(20-10-6-3-7-11-20)14-12-8-4-5-9-13(12)25-19(14,15)18(22)24-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184095
PNG
((R,R/S,S)-2-azetidin-1-yl-2aH-7-thia-cyclobuta[a]i...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCC1 |t:4|
Show InChI InChI=1S/C17H17NO4S/c1-21-15(19)13-14(18-8-5-9-18)12-10-6-3-4-7-11(10)23-17(12,13)16(20)22-2/h3-4,6-7,12H,5,8-9H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184078
PNG
((2aS,7aS)-2-((R)-2-methyl-pyrrolidin-1-yl)-2aH-7-t...)
Show SMILES COC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OC)N1CCC[C@H]1C |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-11-7-6-10-20(11)16-14-12-8-4-5-9-13(12)25-19(14,18(22)24-3)15(16)17(21)23-2/h4-5,8-9,11,14H,6-7,10H2,1-3H3/t11-,14+,19+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184090
PNG
((S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1]ben...)
Show SMILES COC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OC)N1CCCC1 |t:4|
Show InChI InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-,18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184080
PNG
((R,R/S,S)-2-pyrrolidin-1-yl-2aH-7-thia-cyclobuta[a...)
Show SMILES CCOC(=O)C1=C(C2c3ccccc3SC12C(=O)OCC)N1CCCC1 |t:5|
Show InChI InChI=1S/C20H23NO4S/c1-3-24-18(22)16-17(21-11-7-8-12-21)15-13-9-5-6-10-14(13)26-20(15,16)19(23)25-4-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184097
PNG
((2aR,7aR)-2-Pyrrolidin-1-yl-2aH-7-thia-cyclobuta[a...)
Show SMILES CCOC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OCC)N1CCCC1 |t:5|
Show InChI InChI=1S/C20H23NO4S/c1-3-24-18(22)16-17(21-11-7-8-12-21)15-13-9-5-6-10-14(13)26-20(15,16)19(23)25-4-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3/t15-,20-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184088
PNG
((2aS,7aS)-2-pyrrolidin-1-yl-2aH-7-thia-cyclobuta[a...)
Show SMILES CCOC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OCC)N1CCCC1 |t:5|
Show InChI InChI=1S/C20H23NO4S/c1-3-24-18(22)16-17(21-11-7-8-12-21)15-13-9-5-6-10-14(13)26-20(15,16)19(23)25-4-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3/t15-,20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184093
PNG
((R,R/S,S)-2-pyrrolidin-1-yl-2aH-7-thia-cyclobuta[a...)
Show SMILES CC(C)(C)OC(=O)C1=C(C2c3ccccc3SC12C(=O)OC(C)(C)C)N1CCCC1 |t:7|
Show InChI InChI=1S/C24H31NO4S/c1-22(2,3)28-20(26)18-19(25-13-9-10-14-25)17-15-11-7-8-12-16(15)30-24(17,18)21(27)29-23(4,5)6/h7-8,11-12,17H,9-10,13-14H2,1-6H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184094
PNG
((2aS,7aS)-2-((S)-2-methyl-pyrrolidin-1-yl)-2aH-7-t...)
Show SMILES COC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OC)N1CCC[C@@H]1C |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-11-7-6-10-20(11)16-14-12-8-4-5-9-13(12)25-19(14,18(22)24-3)15(16)17(21)23-2/h4-5,8-9,11,14H,6-7,10H2,1-3H3/t11-,14-,19-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184086
PNG
((R,R/S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCC1 |t:4|
Show InChI InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y188C mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184086
PNG
((R,R/S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCC1 |t:4|
Show InChI InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184086
PNG
((R,R/S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCC1 |t:4|
Show InChI InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184079
PNG
((2aR,7aR)-2-((R)-2-methoxymethyl-pyrrolidin-1-yl)-...)
Show SMILES COC[C@H]1CCCN1C1=C(C(=O)OC)[C@@]2(Sc3ccccc3[C@H]12)C(=O)OC |c:9|
Show InChI InChI=1S/C20H23NO5S/c1-24-11-12-7-6-10-21(12)17-15-13-8-4-5-9-14(13)27-20(15,19(23)26-3)16(17)18(22)25-2/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t12-,15-,20-/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184084
PNG
((2aS,7aS)-2-piperidin-1-yl-2aH-7-thia-cyclobuta[a]...)
Show SMILES COC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OC)N1CCCCC1 |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-23-17(21)15-16(20-10-6-3-7-11-20)14-12-8-4-5-9-13(12)25-19(14,15)18(22)24-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3/t14-,19-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184092
PNG
((R,R/S,S)2-((R)-2-methoxymethyl-pyrrolidin-1-yl)-2...)
Show SMILES COC[C@H]1CCCN1C1=C(C(=O)OC)C2(Sc3ccccc3C12)C(=O)OC |c:9|
Show InChI InChI=1S/C20H23NO5S/c1-24-11-12-7-6-10-21(12)17-15-13-8-4-5-9-14(13)27-20(15,19(23)26-3)16(17)18(22)25-2/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t12-,15?,20?/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184087
PNG
((2aS,7aS)-2-((R)-2-methoxymethyl-pyrrolidin-1-yl)-...)
Show SMILES COC[C@H]1CCCN1C1=C(C(=O)OC)[C@]2(Sc3ccccc3[C@@H]12)C(=O)OC |c:9|
Show InChI InChI=1S/C20H23NO5S/c1-24-11-12-7-6-10-21(12)17-15-13-8-4-5-9-14(13)27-20(15,19(23)26-3)16(17)18(22)25-2/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t12-,15+,20+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50184083
PNG
((R,R/S,S)-2-dimethylamino-2aH-7-thia-cyclobuta[a]i...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N(C)C |t:4|
Show InChI InChI=1S/C16H17NO4S/c1-17(2)13-11-9-7-5-6-8-10(9)22-16(11,15(19)21-4)12(13)14(18)20-3/h5-8,11H,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells


Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%