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Compile Data Set for Download or QSAR

Found 2554 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase'   
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)
BDBM50171974
PNG
(4-[2-(5-Ethyl-7-methoxy-10-methyl-11-oxo-10,11-dih...)
Show SMILES CCN1c2nc(OC)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O5/c1-5-29-22-18(24(30)28(3)19-7-9-21(33-4)27-23(19)29)13-16(14-26-22)10-11-34-20-8-6-17(25(31)32)12-15(20)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)
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n/an/a 15n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171976
PNG
(4-[2-(5-Ethyl-7-fluoro-10-methyl-11-oxo-10,11-dihy...)
Show SMILES CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12
Show InChI InChI=1S/C24H23FN4O4/c1-4-29-21-17(23(30)28(3)18-6-8-20(25)27-22(18)29)12-15(13-26-21)9-10-33-19-7-5-16(24(31)32)11-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3,(H,31,32)
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n/an/a 15n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171979
PNG
(6-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4cc(ccc4c3)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-22(26(32)30(2)23-5-4-11-28-25(23)31)13-17(16-29-24)10-12-35-21-9-8-18-14-20(27(33)34)7-6-19(18)15-21/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,33,34)
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n/an/a 14n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171980
PNG
(3-Ethyl-4-[2-(5-ethyl-10-methyl-11-oxo-10,11-dihyd...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3CC)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-4-17-14-18(25(31)32)8-9-21(17)33-12-10-16-13-19-22(27-15-16)29(5-2)23-20(7-6-11-26-23)28(3)24(19)30/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,31,32)
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n/an/a 19n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171975
PNG
(3-{4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CCC(O)=O)cc3C)cnc12
Show InChI InChI=1S/C26H28N4O4/c1-4-30-24-20(26(33)29(3)21-6-5-12-27-25(21)30)15-19(16-28-24)11-13-34-22-9-7-18(14-17(22)2)8-10-23(31)32/h5-7,9,12,14-16H,4,8,10-11,13H2,1-3H3,(H,31,32)
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n/an/a 200n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171973
PNG
(3-Bromo-4-[2-(5-ethyl-10-methyl-11-oxo-10,11-dihyd...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3Br)C(O)=O)cnc12
Show InChI InChI=1S/C23H21BrN4O4/c1-3-28-20-16(22(29)27(2)18-5-4-9-25-21(18)28)11-14(13-26-20)8-10-32-19-7-6-15(23(30)31)12-17(19)24/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,30,31)
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n/an/a 300n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171984
PNG
(6-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4c(cccc4c3)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-22(26(32)30(2)23-8-5-12-28-25(23)31)14-17(16-29-24)11-13-35-19-9-10-20-18(15-19)6-4-7-21(20)27(33)34/h4-10,12,14-16H,3,11,13H2,1-2H3,(H,33,34)
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n/an/a 4.00E+3n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171980
PNG
(3-Ethyl-4-[2-(5-ethyl-10-methyl-11-oxo-10,11-dihyd...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3CC)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-4-17-14-18(25(31)32)8-9-21(17)33-12-10-16-13-19-22(27-15-16)29(5-2)23-20(7-6-11-26-23)28(3)24(19)30/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,31,32)
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n/an/a 430n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171979
PNG
(6-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4cc(ccc4c3)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-22(26(32)30(2)23-5-4-11-28-25(23)31)13-17(16-29-24)10-12-35-21-9-8-18-14-20(27(33)34)7-6-19(18)15-21/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,33,34)
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n/an/a 1.10E+3n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171983
PNG
(CHEMBL370699 | {4-[2-(5-Ethyl-10-methyl-11-oxo-10,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CC(O)=O)cc3C)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-4-29-23-19(25(32)28(3)20-6-5-10-26-24(20)29)13-18(15-27-23)9-11-33-21-8-7-17(12-16(21)2)14-22(30)31/h5-8,10,12-13,15H,4,9,11,14H2,1-3H3,(H,30,31)
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n/an/a 370n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171982
PNG
(4-[2-(7-Chloro-5-ethyl-10-methyl-11-oxo-10,11-dihy...)
Show SMILES CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C24H23ClN4O4/c1-4-29-21-17(23(30)28(3)18-6-8-20(25)27-22(18)29)12-15(13-26-21)9-10-33-19-7-5-16(24(31)32)11-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3,(H,31,32)
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n/an/a 10n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171971
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C24H24N4O4/c1-4-28-21-18(23(29)27(3)19-6-5-10-25-22(19)28)13-16(14-26-21)9-11-32-20-8-7-17(24(30)31)12-15(20)2/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,30,31)
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n/an/a 17n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171978
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(C(O)=O)c4ccccc34)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-21(26(32)30(2)22-9-6-13-28-25(22)31)15-17(16-29-24)12-14-35-23-11-10-20(27(33)34)18-7-4-5-8-19(18)23/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,33,34)
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n/an/a 194n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171972
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12
Show InChI InChI=1S/C23H22N4O4/c1-3-27-20-18(22(28)26(2)19-5-4-11-24-21(19)27)13-15(14-25-20)10-12-31-17-8-6-16(7-9-17)23(29)30/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,29,30)
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n/an/a 4.48E+3n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171972
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3)C(O)=O)cnc12
Show InChI InChI=1S/C23H22N4O4/c1-3-27-20-18(22(28)26(2)19-5-4-11-24-21(19)27)13-15(14-25-20)10-12-31-17-8-6-16(7-9-17)23(29)30/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,29,30)
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n/an/a 95n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171974
PNG
(4-[2-(5-Ethyl-7-methoxy-10-methyl-11-oxo-10,11-dih...)
Show SMILES CCN1c2nc(OC)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O5/c1-5-29-22-18(24(30)28(3)19-7-9-21(33-4)27-23(19)29)13-16(14-26-22)10-11-34-20-8-6-17(25(31)32)12-15(20)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)
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n/an/a 300n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171977
PNG
(5-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3cccc4c(cccc34)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-21(26(32)30(2)22-10-6-13-28-25(22)31)15-17(16-29-24)12-14-35-23-11-5-7-18-19(23)8-4-9-20(18)27(33)34/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,33,34)
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n/an/a 550n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171984
PNG
(6-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc4c(cccc4c3)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-22(26(32)30(2)23-8-5-12-28-25(23)31)14-17(16-29-24)11-13-35-19-9-10-20-18(15-19)6-4-7-21(20)27(33)34/h4-10,12,14-16H,3,11,13H2,1-2H3,(H,33,34)
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n/an/a 63n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171978
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(C(O)=O)c4ccccc34)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-21(26(32)30(2)22-9-6-13-28-25(22)31)15-17(16-29-24)12-14-35-23-11-10-20(27(33)34)18-7-4-5-8-19(18)23/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,33,34)
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n/an/a 27n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171983
PNG
(CHEMBL370699 | {4-[2-(5-Ethyl-10-methyl-11-oxo-10,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CC(O)=O)cc3C)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-4-29-23-19(25(32)28(3)20-6-5-10-26-24(20)29)13-18(15-27-23)9-11-33-21-8-7-17(12-16(21)2)14-22(30)31/h5-8,10,12-13,15H,4,9,11,14H2,1-3H3,(H,30,31)
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n/an/a 23n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171981
PNG
(4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5...)
Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-5-29-22-19(24(30)28(4)20-8-6-16(3)27-23(20)29)13-17(14-26-22)10-11-33-21-9-7-18(25(31)32)12-15(21)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)
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n/an/a 280n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171981
PNG
(4-[2-(5-Ethyl-7,10-dimethyl-11-oxo-10,11-dihydro-5...)
Show SMILES CCN1c2nc(C)ccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C25H26N4O4/c1-5-29-22-19(24(30)28(4)20-8-6-16(3)27-23(20)29)13-17(14-26-22)10-11-33-21-9-7-18(25(31)32)12-15(21)2/h6-9,12-14H,5,10-11H2,1-4H3,(H,31,32)
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n/an/a 19n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171976
PNG
(4-[2-(5-Ethyl-7-fluoro-10-methyl-11-oxo-10,11-dihy...)
Show SMILES CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12
Show InChI InChI=1S/C24H23FN4O4/c1-4-29-21-17(23(30)28(3)18-6-8-20(25)27-22(18)29)12-15(13-26-21)9-10-33-19-7-5-16(24(31)32)11-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3,(H,31,32)
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n/an/a 150n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171973
PNG
(3-Bromo-4-[2-(5-ethyl-10-methyl-11-oxo-10,11-dihyd...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3Br)C(O)=O)cnc12
Show InChI InChI=1S/C23H21BrN4O4/c1-3-28-20-16(22(29)27(2)18-5-4-9-25-21(18)28)11-14(13-26-20)8-10-32-19-7-6-15(23(30)31)12-17(19)24/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,30,31)
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n/an/a 18n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171977
PNG
(5-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3cccc4c(cccc34)C(O)=O)cnc12
Show InChI InChI=1S/C27H24N4O4/c1-3-31-24-21(26(32)30(2)22-10-6-13-28-25(22)31)15-17(16-29-24)12-14-35-23-11-5-7-18-19(23)8-4-9-20(18)27(33)34/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,33,34)
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n/an/a 60n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171975
PNG
(3-{4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(CCC(O)=O)cc3C)cnc12
Show InChI InChI=1S/C26H28N4O4/c1-4-30-24-20(26(33)29(3)21-6-5-12-27-25(21)30)15-19(16-28-24)11-13-34-22-9-7-18(14-17(22)2)8-10-23(31)32/h5-7,9,12,14-16H,4,8,10-11,13H2,1-3H3,(H,31,32)
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n/an/a 22n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) a...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171982
PNG
(4-[2-(7-Chloro-5-ethyl-10-methyl-11-oxo-10,11-dihy...)
Show SMILES CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(Cl)nc12
Show InChI InChI=1S/C24H23ClN4O4/c1-4-29-21-17(23(30)28(3)18-6-8-20(25)27-22(18)29)12-15(13-26-21)9-10-33-19-7-5-16(24(31)32)11-14(19)2/h5-8,11-13H,4,9-10H2,1-3H3,(H,31,32)
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n/an/a 64n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50171971
PNG
(4-[2-(5-Ethyl-10-methyl-11-oxo-10,11-dihydro-5H-4,...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
Show InChI InChI=1S/C24H24N4O4/c1-4-28-21-18(23(29)27(3)19-6-5-10-25-22(19)28)13-16(14-26-21)9-11-32-20-8-7-17(24(30)31)12-15(20)2/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,30,31)
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n/an/a 221n/an/an/an/a7.8n/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP...


J Med Chem 48: 5580-8 (2005)


Article DOI: 10.1021/jm050255t
BindingDB Entry DOI: 10.7270/Q29K49RC
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33420
PNG
(pyrimidinol carboxylic acid, 12)
Show SMILES COC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C13H12N2O4/c1-19-13(18)10-11(16)12(17)15-9(14-10)7-8-5-3-2-4-6-8/h2-6,16H,7H2,1H3,(H,14,15,17)
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n/an/a 7.20E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33419
PNG
(pyrimidinol carboxylic acid, 11)
Show SMILES OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O
Show InChI InChI=1S/C14H8BrClN2O4S/c15-12-7(6-3-5(16)1-2-8(6)23-12)4-9-17-10(14(21)22)11(19)13(20)18-9/h1-3,19H,4H2,(H,21,22)(H,17,18,20)
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n/an/a 175n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33418
PNG
(pyrimidinol carboxylic acid, 10)
Show SMILES COc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1Br
Show InChI InChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)
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n/an/a 1.15E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33417
PNG
(pyrimidinol carboxylic acid, 9)
Show SMILES OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18)
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n/an/a 1.45E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33416
PNG
(pyrimidinol carboxylic acid, 8)
Show SMILES OC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17)
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n/an/a 1.02E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33409
PNG
(alpha, gamma-diketo acid, 1)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C15H11NO5S/c17-10(8-11(18)15(20)21)12-6-7-13(22-12)16-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)(H,20,21)
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n/an/a 9.85E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33414
PNG
(CHEMBL440562 | pyrimidinol carboxylic acid, 6)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
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n/an/a 1.30E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33413
PNG
(benzo[7]annulene-8-carboxylic acid, 5)
Show SMILES OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
Show InChI InChI=1S/C12H8O6/c13-7-2-1-5-3-6(12(17)18)4-8(14)11(16)9(5)10(7)15/h1-4,13,15H,(H,14,16)(H,17,18)
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n/an/a 2.32E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33412
PNG
(CHEMBL183852 | N-hydroxy quinazolinedione, 4)
Show SMILES On1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
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n/an/a 6.00E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33411
PNG
(β-Thujaplicinol | hydroxytropolone, 3)
Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
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PubMed
n/an/a 660n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33410
PNG
(CHEMBL16755 | N-hydroxyisoquinolinedione, 2)
Show SMILES ON1C(=O)Cc2ccccc2C1=O
Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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n/an/a 135n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33415
PNG
(CHEMBL204900 | pyrimidinol carboxylic acid, 7)
Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
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n/an/a 2.50E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


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



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 8 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


Article DOI: 10.1016/s0960-894x(01)00510-8
BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002470
PNG
(AZTTP3'-azido-3'-deoxythymidine 5'-triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H14N5O13P3/c1-4-3-14(9(16)11-7(4)15)6-2-5(12-13-10)8(24-6)25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5-6,8H,2H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/p-4/t5-,6-,8-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).


J Med Chem 35: 1938-41 (1992)


Article DOI: 10.1021/jm00089a002
BindingDB Entry DOI: 10.7270/Q25B0336
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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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)


Article DOI: 10.1021/jm0010365
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)


Article DOI: 10.1021/jm0010365
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)


Article DOI: 10.1021/jm990150o
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
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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)


Article DOI: 10.1021/jm990150o
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)


Article DOI: 10.1021/jm0010365
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)


Article DOI: 10.1021/jm0010365
BindingDB Entry DOI: 10.7270/Q2HX1DD9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285269
PNG
((S,S)-isodideoxyadenosinetriphosphate | CHEMBL7247...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(23-2-6)3-24-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against HIV reverse transcriptase (HIV RT)


Bioorg Med Chem Lett 5: 2235-2238 (1995)


Article DOI: 10.1016/0960-894X(95)00386-8
BindingDB Entry DOI: 10.7270/Q27H1JKK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285269
PNG
((S,S)-isodideoxyadenosinetriphosphate | CHEMBL7247...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(23-2-6)3-24-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against HIV reverse transcriptase


Bioorg Med Chem Lett 7: 3195-3198 (1997)


Article DOI: 10.1016/S0960-894X(97)10183-4
BindingDB Entry DOI: 10.7270/Q2NZ885R
More data for this
Ligand-Target Pair
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