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PubMed code 14561099

Compile data set for download or QSAR
Found 9 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)
BDBM50134782
PNG
(6-amino-9-[(Z)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3\CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2-
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320n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1
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PubMed
500n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1
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PubMed
510n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(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)/t6-,7+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134782
PNG
(6-amino-9-[(Z)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3\CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2-
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1.70E+3n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134782
PNG
(6-amino-9-[(Z)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3\CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2-
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2.40E+3n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134783
PNG
(6-amino-9-[(E)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3/CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2+
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1.00E+4n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134783
PNG
(6-amino-9-[(E)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3/CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2+
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5.20E+4n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134783
PNG
(6-amino-9-[(E)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3/CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2+
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7.10E+4n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%