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18 similar compounds to monomer 50002692

Compile data set for download or QSAR
Wt: 491.4
BDBM50057805
Wt: 282.2
BDBM50057809
Wt: 311.2
BDBM50057810
Wt: 367.4
BDBM50057811
Wt: 355.3
BDBM50057815
Wt: 336.3
BDBM50057816
Wt: 325.3
BDBM50057818
Wt: 560.5
BDBM50057822
Wt: 307.3
BDBM50057823
Wt: 345.2
BDBM50118628
Wt: 267.2
BDBM50132305
Wt: 393.1
BDBM50132289
Wt: 241.2
BDBM50132294
Purchase
Wt: 267.2
BDBM50223817
Wt: 267.2
BDBM50359627
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Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50057805,50057809,50057810,50057811,50057815,50057816,50057818,50057822,50057823,50118628,50132305,50132289,50132294,50223817,50359627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50359627
PNG
(CHEMBL1253612)
Show SMILES Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis


Bioorg Med Chem 19: 7603-11 (2011)


Article DOI: 10.1016/j.bmc.2011.10.021
BindingDB Entry DOI: 10.7270/Q2JH3MMD
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132305
PNG
(1-((2R,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Mycobacterium tuberculosis thymidine monophosphate kinase


Bioorg Med Chem Lett 12: 2695-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00551-6
BindingDB Entry DOI: 10.7270/Q24J0FN8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50118628
PNG
((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli NM554 by coupled spectrophotometric assay


Bioorg Med Chem 19: 7603-11 (2011)


Article DOI: 10.1016/j.bmc.2011.10.021
BindingDB Entry DOI: 10.7270/Q2JH3MMD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50223817
PNG
(5'-azido-5'-deoxy-alpha-D-thymidine | CHEMBL235305)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8-/m0/s1
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2.65E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis


Bioorg Med Chem 19: 7603-11 (2011)


Article DOI: 10.1016/j.bmc.2011.10.021
BindingDB Entry DOI: 10.7270/Q2JH3MMD
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50223817
PNG
(5'-azido-5'-deoxy-alpha-D-thymidine | CHEMBL235305)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8-/m0/s1
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2.65E+4n/an/an/an/an/an/an/an/a



University of Gent

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay


J Med Chem 50: 5281-92 (2007)


Article DOI: 10.1021/jm0706158
BindingDB Entry DOI: 10.7270/Q2QJ7H1Z
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.30E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidine kinase


(Rattus norvegicus)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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3.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat cytoplasmic Thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132289
PNG
(1-((2R,5S)-4-Azido-3-hydroxy-5-iodomethyl-tetrahyd...)
Show SMILES Cc1cn([C@@H]2O[C@H](CI)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H12IN5O4/c1-4-3-16(10(19)13-8(4)18)9-7(17)6(14-15-12)5(2-11)20-9/h3,5-7,9,17H,2H2,1H3,(H,13,18,19)/t5-,6-,7-,9-/m1/s1
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4.90E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis


Bioorg Med Chem Lett 13: 3045-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00643-7
BindingDB Entry DOI: 10.7270/Q237798X
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50132294
PNG
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
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2.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 25: 644-9 (1982)


Article DOI: 10.1021/jm00348a007
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057811
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCCCCCO)c1=O
Show InChI InChI=1S/C16H25N5O5/c1-11-9-21(14-8-12(18-19-17)13(10-23)26-14)16(25)20(15(11)24)6-4-2-3-5-7-22/h9,12-14,22-23H,2-8,10H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057822
PNG
(1-(4-azido-5-hydroxymethyltetrahydro-2-furanyl)-3-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCn2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c1=O
Show InChI InChI=1S/C22H28N10O8/c1-11-7-31(17-5-13(25-27-23)15(9-33)39-17)21(37)29(19(11)35)3-4-30-20(36)12(2)8-32(22(30)38)18-6-14(26-28-24)16(10-34)40-18/h7-8,13-18,33-34H,3-6,9-10H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057810
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCO)c1=O
Show InChI InChI=1S/C12H17N5O5/c1-7-5-17(12(21)16(2-3-18)11(7)20)10-4-8(14-15-13)9(6-19)22-10/h5,8-10,18-19H,2-4,6H2,1H3
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n/an/an/an/a 90n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057815
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES COCCOCn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O
Show InChI InChI=1S/C14H21N5O6/c1-9-6-18(12-5-10(16-17-15)11(7-20)25-12)14(22)19(13(9)21)8-24-4-3-23-2/h6,10-12,20H,3-5,7-8H2,1-2H3
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n/an/an/an/a 1.40E+5n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057805
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(C(CO)O2)n2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H25N7O8/c1-9-5-25(19(32)22-17(9)30)16-4-12(14(8-29)35-16)27-18(31)10(2)6-26(20(27)33)15-3-11(23-24-21)13(7-28)34-15/h5-6,11-16,28-29H,3-4,7-8H2,1-2H3,(H,22,30,32)
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n/an/an/an/a 100n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057818
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCCO)c1=O
Show InChI InChI=1S/C13H19N5O5/c1-8-6-18(13(22)17(12(8)21)3-2-4-19)11-5-9(15-16-14)10(7-20)23-11/h6,9-11,19-20H,2-5,7H2,1H3
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n/an/an/an/a 120n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057809
PNG
(3-Amino-1-(4-azido-5-hydroxymethyl-tetrahydro-fura...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(N)c1=O
Show InChI InChI=1S/C10H14N6O4/c1-5-3-15(10(19)16(12)9(5)18)8-2-6(13-14-11)7(4-17)20-8/h3,6-8,17H,2,4,12H2,1H3
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n/an/an/an/a 500n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057823
PNG
(3-Allyl-1-(4-azido-5-hydroxymethyl-tetrahydro-fura...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C13H17N5O4/c1-3-4-17-12(20)8(2)6-18(13(17)21)11-5-9(15-16-14)10(7-19)22-11/h3,6,9-11,19H,1,4-5,7H2,2H3
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n/an/an/an/a 6.50E+4n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057816
PNG
(3-(2-Azido-ethyl)-1-(4-azido-5-hydroxymethyl-tetra...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCN=[N+]=[N-])c1=O
Show InChI InChI=1S/C12H16N8O4/c1-7-5-20(10-4-8(16-18-14)9(6-21)24-10)12(23)19(11(7)22)3-2-15-17-13/h5,8-10,21H,2-4,6H2,1H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair