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24 similar compounds to monomer 50252013

Compile data set for download or QSAR
Wt: 483.3
BDBM50090842
Wt: 452.3
BDBM50252626
Wt: 429.5
BDBM50252064
Wt: 399.4
BDBM50252065
Wt: 457.4
BDBM50252066
Wt: 403.4
BDBM50252067
Wt: 452.3
BDBM50252011
Wt: 418.4
BDBM50252012
Wt: 431.4
BDBM50252014
Wt: 387.4
BDBM50252015
Wt: 409.4
BDBM50252068
Wt: 391.4
BDBM50252624
Wt: 407.8
BDBM50252625
Wt: 387.4
BDBM50251861
Wt: 418.4
BDBM50251862
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50090842,50252626,50252064,50252065,50252066,50252067,50252011,50252012,50252014,50252015,50252068,50252624,50252625,50251861,50251862   
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
Adenosine kinase


(Toxoplasma gondii)
BDBM50252067
PNG
(4-[(4-Methoxybenzyl)thio]-7-(beta-D-ribofuranosyl)...)
Show SMILES COc1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H21N3O5S/c1-26-12-4-2-11(3-5-12)9-28-18-13-6-7-22(17(13)20-10-21-18)19-16(25)15(24)14(8-23)27-19/h2-7,10,14-16,19,23-25H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252014
PNG
(4-[(4-Methoxycarbonylbenzyl)thio]-7-(beta-D-ribofu...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H21N3O6S/c1-28-20(27)12-4-2-11(3-5-12)9-30-18-13-6-7-23(17(13)21-10-22-18)19-16(26)15(25)14(8-24)29-19/h2-7,10,14-16,19,24-26H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252068
PNG
(4-[(2,4-Difluorobenzyl)thio]-7-(beta-D-ribofuranos...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(F)cc3F)ncnc12
Show InChI InChI=1S/C18H17F2N3O4S/c19-10-2-1-9(12(20)5-10)7-28-17-11-3-4-23(16(11)21-8-22-17)18-15(26)14(25)13(6-24)27-18/h1-5,8,13-15,18,24-26H,6-7H2/t13-,14-,15-,18-/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252015
PNG
(4-[(4-Methylbenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES Cc1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H21N3O4S/c1-11-2-4-12(5-3-11)9-27-18-13-6-7-22(17(13)20-10-21-18)19-16(25)15(24)14(8-23)26-19/h2-7,10,14-16,19,23-25H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1
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1.90E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252064
PNG
(4-[(4-tert-Butylbenzyl)thio]-7-(beta-D-ribofuranos...)
Show SMILES CC(C)(C)c1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H27N3O4S/c1-22(2,3)14-6-4-13(5-7-14)11-30-20-15-8-9-25(19(15)23-12-24-20)21-18(28)17(27)16(10-26)29-21/h4-9,12,16-18,21,26-28H,10-11H2,1-3H3/t16-,17-,18-,21-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252066
PNG
(4-[(4-Trifluoromethoxybenzyl)thio]-7-(beta-D-ribof...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C19H18F3N3O5S/c20-19(21,22)30-11-3-1-10(2-4-11)8-31-17-12-5-6-25(16(12)23-9-24-17)18-15(28)14(27)13(7-26)29-18/h1-6,9,13-15,18,26-28H,7-8H2/t13-,14-,15-,18-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252012
PNG
(4-[(4-Nitrobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C18H18N4O6S/c23-7-13-14(24)15(25)18(28-13)21-6-5-12-16(21)19-9-20-17(12)29-8-10-1-3-11(4-2-10)22(26)27/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252625
PNG
(4-[(2-Chlorobenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C18H18ClN3O4S/c19-12-4-2-1-3-10(12)8-27-17-11-5-6-22(16(11)20-9-21-17)18-15(25)14(24)13(7-23)26-18/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50251862
PNG
(4-[(3-Nitrobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C18H18N4O6S/c23-7-13-14(24)15(25)18(28-13)21-5-4-12-16(21)19-9-20-17(12)29-8-10-2-1-3-11(6-10)22(26)27/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252624
PNG
(4-[(2-Fluorobenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccccc3F)ncnc12
Show InChI InChI=1S/C18H18FN3O4S/c19-12-4-2-1-3-10(12)8-27-17-11-5-6-22(16(11)20-9-21-17)18-15(25)14(24)13(7-23)26-18/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
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5.90E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252626
PNG
(4-[(2-Bromobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C18H18BrN3O4S/c19-12-4-2-1-3-10(12)8-27-17-11-5-6-22(16(11)20-9-21-17)18-15(25)14(24)13(7-23)26-18/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
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1.06E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252065
PNG
(4-[(4-Vinylbenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(C=C)cc3)ncnc12
Show InChI InChI=1S/C20H21N3O4S/c1-2-12-3-5-13(6-4-12)10-28-19-14-7-8-23(18(14)21-11-22-19)20-17(26)16(25)15(9-24)27-20/h2-8,11,15-17,20,24-26H,1,9-10H2/t15-,16-,17-,20-/m1/s1
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1.80E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50251861
PNG
(4-[(2-Methylbenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES Cc1ccccc1CSc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N3O4S/c1-11-4-2-3-5-12(11)9-27-18-13-6-7-22(17(13)20-10-21-18)19-16(25)15(24)14(8-23)26-19/h2-7,10,14-16,19,23-25H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1
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2.28E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252011
PNG
(4-[(4-Bromobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(Br)cc3)ncnc12
Show InChI InChI=1S/C18H18BrN3O4S/c19-11-3-1-10(2-4-11)8-27-17-12-5-6-22(16(12)20-9-21-17)18-15(25)14(24)13(7-23)26-18/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
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2.53E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50090842
PNG
((2R,3R,4S,5R)-2-(4-(benzylthio)-5-iodo-7H-pyrrolo[...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H18IN3O3S/c1-10-14(23)15(24)18(25-10)22-7-12(19)13-16(22)20-9-21-17(13)26-8-11-5-3-2-4-6-11/h2-7,9-10,14-15,18,23-24H,8H2,1H3/t10-,14-,15-,18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase


J Med Chem 43: 2883-93 (2000)


Article DOI: 10.1021/jm000024g
BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair