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27 similar compounds to monomer 50292717

Compile data set for download or QSAR
Wt: 313.3
BDBM50000970
Wt: 354.4
BDBM50000977
Wt: 269.2
BDBM50000972
Wt: 297.3
BDBM50000973
Wt: 257.2
BDBM50000968
Wt: 327.3
BDBM50000971
Wt: 325.4
BDBM50000974
Wt: 367.4
BDBM50000975
Wt: 326.3
BDBM50000976
Wt: 269.2
BDBM50028576
Wt: 325.4
BDBM50028581
Wt: 382.4
BDBM50070294
Wt: 283.2
BDBM50132307
Wt: 256.2
BDBM50132292
Purchase
Wt: 241.2
BDBM50132297
Purchase
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50000970,50000977,50000972,50000973,50000968,50000971,50000974,50000975,50000976,50028576,50028581,50070294,50132307,50132292,50132297   
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
Thymidine kinase


(Rattus norvegicus)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/s2
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2.40E+3n/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)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/s2
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1.20E+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
Thymidine kinase


(Rattus norvegicus)
BDBM50028581
PNG
(1-(5-Hexylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCCCCCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)
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3.50E+4n/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
Thymidine kinase


(Rattus norvegicus)
BDBM50028576
PNG
(1-(5-Ethylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)
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4.00E+4n/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
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000971
PNG
(CHEMBL3229794)
Show SMILES CCC(=O)NCC(O)[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C14H21N3O6/c1-3-10(20)15-5-9(19)12-8(18)4-11(23-12)17-6-7(2)13(21)16-14(17)22/h6,8-9,11-12,18-19H,3-5H2,1-2H3,(H,15,20)(H,16,21,22)/t8-,9?,11+,12-/s2
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6.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132307
PNG
(CHEMBL322925 | N-[(2R,5R)-3-Hydroxy-5-(5-methyl-2,...)
Show SMILES CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1
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9.00E+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)
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000971
PNG
(CHEMBL3229794)
Show SMILES CCC(=O)NCC(O)[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C14H21N3O6/c1-3-10(20)15-5-9(19)12-8(18)4-11(23-12)17-6-7(2)13(21)16-14(17)22/h6,8-9,11-12,18-19H,3-5H2,1-2H3,(H,15,20)(H,16,21,22)/t8-,9?,11+,12-/s2
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000974
PNG
(CHEMBL3229800)
Show SMILES CCCCCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)/t12-,13+,14+/s2
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1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000972
PNG
(CHEMBL3229798)
Show SMILES CCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)/t8-,9+,10+/s2
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1.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000976
PNG
(CHEMBL3229802)
Show SMILES CC(=O)NCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C14H22N4O5/c1-8-7-18(14(22)17-13(8)21)12-5-10(20)11(23-12)6-15-3-4-16-9(2)19/h7,10-12,15,20H,3-6H2,1-2H3,(H,16,19)(H,17,21,22)/t10-,11+,12+/s2
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000970
PNG
(CHEMBL3229793)
Show SMILES CC(=O)NCC(O)[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C13H19N3O6/c1-6-5-16(13(21)15-12(6)20)10-3-8(18)11(22-10)9(19)4-14-7(2)17/h5,8-11,18-19H,3-4H2,1-2H3,(H,14,17)(H,15,20,21)/t8-,9?,10+,11-/s2
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000973
PNG
(CHEMBL3229799)
Show SMILES CCCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C14H23N3O4/c1-3-4-5-15-7-11-10(18)6-12(21-11)17-8-9(2)13(19)16-14(17)20/h8,10-12,15,18H,3-7H2,1-2H3,(H,16,19,20)/t10-,11+,12+/s2
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000977
PNG
(CHEMBL3229803)
Show SMILES CN(CCN(C)C(C)=O)C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C16H26N4O5/c1-10-8-20(16(24)17-15(10)23)14-7-12(22)13(25-14)9-18(3)5-6-19(4)11(2)21/h8,12-14,22H,5-7,9H2,1-4H3,(H,17,23,24)/t12-,13+,14+/s2
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9.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50028581
PNG
(1-(5-Hexylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCCCCCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)
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9.60E+5n/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
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000970
PNG
(CHEMBL3229793)
Show SMILES CC(=O)NCC(O)[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C13H19N3O6/c1-6-5-16(13(21)15-12(6)20)10-3-8(18)11(22-10)9(19)4-14-7(2)17/h5,8-11,18-19H,3-4H2,1-2H3,(H,14,17)(H,15,20,21)/t8-,9?,10+,11-/s2
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1.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/s2
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1.14E+6n/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)
Thymidine kinase 2


(Rattus norvegicus)
BDBM50028576
PNG
(1-(5-Ethylaminomethyl-4-hydroxy-tetrahydro-furan-2...)
Show SMILES CCNCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)
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1.44E+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
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000968
PNG
(CHEMBL1790059)
Show SMILES NCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1-2,4,11H2,(H,12,16,17)/t6-,7+,8+/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000975
PNG
(CHEMBL3229801)
Show SMILES CCCCCCN(C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(C)=O
Show InChI InChI=1/C18H29N3O5/c1-4-5-6-7-8-20(13(3)22)11-15-14(23)9-16(26-15)21-10-12(2)17(24)19-18(21)25/h10,14-16,23H,4-9,11H2,1-3H3,(H,19,24,25)/t14-,15+,16+/s2
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4.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase 2


(Rattus norvegicus)
BDBM50132297
PNG
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/s2
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4.60E+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
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50132307
PNG
(CHEMBL322925 | N-[(2R,5R)-3-Hydroxy-5-(5-methyl-2,...)
Show SMILES CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1
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6.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


Article DOI: 10.1021/jm00192a005
BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/s2
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n/an/a 150n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation


Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/s2
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n/an/a 7.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21G0JXG
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/s2
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n/an/a>1.19E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50132292
PNG
(5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetra...)
Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/s2
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n/an/a>1.18E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070294
PNG
(CHEMBL20165 | N-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3...)
Show SMILES Cc1cn(C2CC(O)C(CNC(=O)CC3(C)CC(O)CN3)O2)c(=O)[nH]c1=O
Show InChI InChI=1/C17H26N4O6/c1-9-8-21(16(26)20-15(9)25)14-3-11(23)12(27-14)7-18-13(24)5-17(2)4-10(22)6-19-17/h8,10-12,14,19,22-23H,3-7H2,1-2H3,(H,18,24)(H,20,25,26)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 1211-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00189-9
BindingDB Entry DOI: 10.7270/Q2PZ580P
More data for this
Ligand-Target Pair