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PubMed code 10543890

Compile data set for download or QSAR
Found 61 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)
BDBM50082061
PNG
((+/-)-5-ethyl-5-(3-methoxy-phenyl)-6-oxa-10b-aza-b...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19NO3/c1-3-21(15-8-6-9-16(14-15)24-2)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)25-21/h4-14H,3H2,1-2H3
PDB
MMDB

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UniChem
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10n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082061
PNG
((+/-)-5-ethyl-5-(3-methoxy-phenyl)-6-oxa-10b-aza-b...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19NO3/c1-3-21(15-8-6-9-16(14-15)24-2)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)25-21/h4-14H,3H2,1-2H3
PDB
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11n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082055
PNG
(5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082060
PNG
(5-Ethyl-5-phenyl-6-oxa-10,10b-diaza-benzo[e]azulen...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c1-2-19(14-8-4-3-5-9-14)17(22)15-10-7-13-21(15)18-16(23-19)11-6-12-20-18/h3-13H,2H2,1H3
PDB
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22n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082061
PNG
((+/-)-5-ethyl-5-(3-methoxy-phenyl)-6-oxa-10b-aza-b...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19NO3/c1-3-21(15-8-6-9-16(14-15)24-2)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)25-21/h4-14H,3H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082055
PNG
(5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082062
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3
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30n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082060
PNG
(5-Ethyl-5-phenyl-6-oxa-10,10b-diaza-benzo[e]azulen...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c1-2-19(14-8-4-3-5-9-14)17(22)15-10-7-13-21(15)18-16(23-19)11-6-12-20-18/h3-13H,2H2,1H3
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40n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082055
PNG
(5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082056
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3
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45n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082061
PNG
((+/-)-5-ethyl-5-(3-methoxy-phenyl)-6-oxa-10b-aza-b...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19NO3/c1-3-21(15-8-6-9-16(14-15)24-2)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)25-21/h4-14H,3H2,1-2H3
PDB
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60n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082057
PNG
((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
PDB
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70n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082060
PNG
(5-Ethyl-5-phenyl-6-oxa-10,10b-diaza-benzo[e]azulen...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c1-2-19(14-8-4-3-5-9-14)17(22)15-10-7-13-21(15)18-16(23-19)11-6-12-20-18/h3-13H,2H2,1H3
PDB
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70n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082062
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3
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70n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082059
PNG
(5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3
PDB
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70n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082056
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3
PDB
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90n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082056
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3
PDB
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90n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082056
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3
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93n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082059
PNG
(5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3
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100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082057
PNG
((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082062
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3
PDB
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110n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082059
PNG
(5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3
PDB
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160n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50052046
PNG
(5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
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190n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082057
PNG
((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082062
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3
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300n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082060
PNG
(5-Ethyl-5-phenyl-6-oxa-10,10b-diaza-benzo[e]azulen...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c1-2-19(14-8-4-3-5-9-14)17(22)15-10-7-13-21(15)18-16(23-19)11-6-12-20-18/h3-13H,2H2,1H3
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300n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082055
PNG
(5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
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400n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082059
PNG
(5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3
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400n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

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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400n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082062
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3
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400n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082056
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3
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430n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082056
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10,10b-diaza-benzo[e...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c1-2-17(14-8-5-11-22-14)15(20)12-6-4-10-19(12)16-13(21-17)7-3-9-18-16/h3-11H,2H2,1H3
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475n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50052046
PNG
(5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
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750n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082063
PNG
((+/-)-6-ethyl-6-(p-tolyl)pyrrolo[2,1-d][1,5]benzox...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-12-10-15(2)11-13-16)20(23)18-8-6-14-22(18)17-7-4-5-9-19(17)24-21/h4-14H,3H2,1-2H3
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970n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082062
PNG
(5-Ethyl-5-thiophen-2-yl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccs1
Show InChI InChI=1S/C18H15NO2S/c1-2-18(16-10-6-12-22-16)17(20)14-8-5-11-19(14)13-7-3-4-9-15(13)21-18/h3-12H,2H2,1H3
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970n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082057
PNG
((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082055
PNG
(5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082055
PNG
(5-Ethyl-5-m-tolyl-6-oxa-10,10b-diaza-benzo[e]azule...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C20H18N2O2/c1-3-20(15-8-4-7-14(2)13-15)18(23)16-9-6-12-22(16)19-17(24-20)10-5-11-21-19/h4-13H,3H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082058
PNG
(5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082060
PNG
(5-Ethyl-5-phenyl-6-oxa-10,10b-diaza-benzo[e]azulen...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c1-2-19(14-8-4-3-5-9-14)17(22)15-10-7-13-21(15)18-16(23-19)11-6-12-20-18/h3-13H,2H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082059
PNG
(5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082058
PNG
(5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082057
PNG
((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082058
PNG
(5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3
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2.70E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082058
PNG
(5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3
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3.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50052046
PNG
(5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
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3.90E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082057
PNG
((+/-)-5-ethyl-5-m-tolyl-6-oxa-10b-aza-benzo[e]azul...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
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4.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082060
PNG
(5-Ethyl-5-phenyl-6-oxa-10,10b-diaza-benzo[e]azulen...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c1-2-19(14-8-4-3-5-9-14)17(22)15-10-7-13-21(15)18-16(23-19)11-6-12-20-18/h3-13H,2H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082059
PNG
(5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(F)c1
Show InChI InChI=1S/C20H16FNO2/c1-2-20(14-7-5-8-15(21)13-14)19(23)17-10-6-12-22(17)16-9-3-4-11-18(16)24-20/h3-13H,2H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082058
PNG
(5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3
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6.80E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

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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7.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50052046
PNG
(5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
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7.70E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N


J Med Chem 42: 4462-70 (1999)

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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9.00E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50052046
PNG
(5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082061
PNG
((+/-)-5-ethyl-5-(3-methoxy-phenyl)-6-oxa-10b-aza-b...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19NO3/c1-3-21(15-8-6-9-16(14-15)24-2)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)25-21/h4-14H,3H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

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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1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50052046
PNG
(5-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-on...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c1-2-20(15-9-4-3-5-10-15)19(22)17-12-8-14-21(17)16-11-6-7-13-18(16)23-20/h3-14H,2H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082058
PNG
(5-(3,5-Difluoro-phenyl)-5-ethyl-6-oxa-10b-aza-benz...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H15F2NO2/c1-2-20(13-10-14(21)12-15(22)11-13)19(24)17-7-5-9-23(17)16-6-3-4-8-18(16)25-20/h3-12H,2H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50082061
PNG
((+/-)-5-ethyl-5-(3-methoxy-phenyl)-6-oxa-10b-aza-b...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C21H19NO3/c1-3-21(15-8-6-9-16(14-15)24-2)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)25-21/h4-14H,3H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

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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1.80E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L


J Med Chem 42: 4462-70 (1999)

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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3.60E+4n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I


J Med Chem 42: 4462-70 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%