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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'coletta' and Initial = 'm'   
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)
BDBM50102265
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-4-oxo-4H-p...)
Show SMILES Fc1cccc2c1n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-26-17-13(21)3-1-4-14(17)25-9-2-5-15(25)18(26)27/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
PDB
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9n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102271
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-5,9,9b-tri...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3cccnc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-15(22-11-12)23-18(27)21-8-10-25-13-3-1-7-20-16(13)24-9-2-4-14(24)17(25)26/h1-7,9,11H,8,10H2,(H2,21,22,23,27)
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9n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102268
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(5-oxo-pyrazolo[1,5-...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3c3ccnn3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-16(21-11-12)23-17(27)20-9-10-24-14-4-2-1-3-13(14)15-7-8-22-25(15)18(24)26/h1-8,11H,9-10H2,(H2,20,21,23,27)
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15n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102265
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-4-oxo-4H-p...)
Show SMILES Fc1cccc2c1n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-26-17-13(21)3-1-4-14(17)25-9-2-5-15(25)18(26)27/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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15n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102276
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-4-oxo-4H-p...)
Show SMILES Clc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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20n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102276
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-4-oxo-4H-p...)
Show SMILES Clc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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20n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102268
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(5-oxo-pyrazolo[1,5-...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3c3ccnn3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-16(21-11-12)23-17(27)20-9-10-24-14-4-2-1-3-13(14)15-7-8-22-25(15)18(24)26/h1-8,11H,9-10H2,(H2,20,21,23,27)
PDB
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21n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102277
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,9-difluoro-4-oxo-...)
Show SMILES Fc1cc(F)c2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H14BrF2N5OS/c20-11-3-4-16(24-10-11)25-19(29)23-5-7-27-15-9-12(21)8-13(22)17(15)26-6-1-2-14(26)18(27)28/h1-4,6,8-10H,5,7H2,(H2,23,24,25,29)
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22n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102273
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-pyrrolo[1,...)
Show SMILES Fc1cccc2c1nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-27-18-15-5-2-9-26(15)14-4-1-3-13(21)17(14)25-18/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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29n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102266
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-fluoro-4-oxo-4H-p...)
Show SMILES Fc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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29n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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 |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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30n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102277
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,9-difluoro-4-oxo-...)
Show SMILES Fc1cc(F)c2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H14BrF2N5OS/c20-11-3-4-16(24-10-11)25-19(29)23-5-7-27-15-9-12(21)8-13(22)17(15)26-6-1-2-14(26)18(27)28/h1-4,6,8-10H,5,7H2,(H2,23,24,25,29)
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30n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102266
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-fluoro-4-oxo-4H-p...)
Show SMILES Fc1ccc2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-3-6-17(23-11-12)24-19(28)22-7-9-26-16-10-13(21)4-5-14(16)25-8-1-2-15(25)18(26)27/h1-6,8,10-11H,7,9H2,(H2,22,23,24,28)
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40n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102270
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(9-fluoro-4-oxo-4H-p...)
Show SMILES Fc1cccc2n(CCNC(=S)Nc3ccc(Br)cn3)c(=O)c3cccn3c12
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-26-14-4-1-3-13(21)17(14)25-9-2-5-15(25)18(26)27/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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40n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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 |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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40n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102271
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-5,9,9b-tri...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3cccnc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-15(22-11-12)23-18(27)21-8-10-25-13-3-1-7-20-16(13)24-9-2-4-14(24)17(25)26/h1-7,9,11H,8,10H2,(H2,21,22,23,27)
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50n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
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53n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102273
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-pyrrolo[1,...)
Show SMILES Fc1cccc2c1nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-27-18-15-5-2-9-26(15)14-4-1-3-13(21)17(14)25-18/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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58n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
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58n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 wild-type RT


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102270
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(9-fluoro-4-oxo-4H-p...)
Show SMILES Fc1cccc2n(CCNC(=S)Nc3ccc(Br)cn3)c(=O)c3cccn3c12
Show InChI InChI=1S/C19H15BrFN5OS/c20-12-6-7-16(23-11-12)24-19(28)22-8-10-26-14-4-1-3-13(21)17(14)25-9-2-5-15(25)18(26)27/h1-7,9,11H,8,10H2,(H2,22,23,24,28)
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60n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
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70n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V179D


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
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90n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102271
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-5,9,9b-tri...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3cccnc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-15(22-11-12)23-18(27)21-8-10-25-13-3-1-7-20-16(13)24-9-2-4-14(24)17(25)26/h1-7,9,11H,8,10H2,(H2,21,22,23,27)
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95n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102267
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,...)
Show SMILES Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Show InChI InChI=1S/C19H15BrClN5OS/c20-12-3-6-17(23-11-12)25-19(28)22-7-9-27-18-16-2-1-8-26(16)15-5-4-13(21)10-14(15)24-18/h1-6,8,10-11H,7,9H2,(H2,22,23,25,28)
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100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
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100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102268
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(5-oxo-pyrazolo[1,5-...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3c3ccnn3c2=O)nc1
Show InChI InChI=1S/C18H15BrN6OS/c19-12-5-6-16(21-11-12)23-17(27)20-9-10-24-14-4-2-1-3-13(14)15-7-8-22-25(15)18(24)26/h1-8,11H,9-10H2,(H2,20,21,23,27)
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100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102277
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(7,9-difluoro-4-oxo-...)
Show SMILES Fc1cc(F)c2c(c1)n(CCNC(=S)Nc1ccc(Br)cn1)c(=O)c1cccn21
Show InChI InChI=1S/C19H14BrF2N5OS/c20-11-3-4-16(24-10-11)25-19(29)23-5-7-27-15-9-12(21)8-13(22)17(15)26-6-1-2-14(26)18(27)28/h1-4,6,8-10H,5,7H2,(H2,23,24,25,29)
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100n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
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105n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
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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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)


BindingDB Entry DOI: 10.7270/Q20R9NMJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50102275
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(4-oxo-4H-pyrrolo[1,...)
Show SMILES Brc1ccc(NC(=S)NCCn2c3ccccc3n3cccc3c2=O)nc1
Show InChI InChI=1S/C19H16BrN5OS/c20-13-7-8-17(22-12-13)23-19(27)21-9-11-25-15-5-2-1-4-14(15)24-10-3-6-16(24)18(25)26/h1-8,10,12H,9,11H2,(H2,21,22,23,27)
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112n/an/an/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A


J Med Chem 44: 305-15 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
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