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Compile Data Set for Download or QSAR

Found 83 hits of ic50 data for polymerid = 50002720   
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)
BDBM50413743
PNG
(CHEMBL61524)
Show SMILES COc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H20N4O5S/c1-26-11-4-2-10(3-5-11)7-28-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)27-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413743
PNG
(CHEMBL61524)
Show SMILES COc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H20N4O5S/c1-26-11-4-2-10(3-5-11)7-28-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)27-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413740
PNG
(CHEMBL61915)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H17N5O4S/c19-5-10-1-3-11(4-2-10)7-28-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)27-18/h1-4,8-9,12,14-15,18,24-26H,6-7H2/t12-,14-,15-,18-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413740
PNG
(CHEMBL61915)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H17N5O4S/c19-5-10-1-3-11(4-2-10)7-28-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)27-18/h1-4,8-9,12,14-15,18,24-26H,6-7H2/t12-,14-,15-,18-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413751
PNG
(CHEMBL61773)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-2-1-3-10(4-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 6.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413751
PNG
(CHEMBL61773)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-2-1-3-10(4-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366950
PNG
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366950
PNG
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487834
PNG
(CHEMBL225838)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H21N5O5/c1-27-11-4-2-10(3-5-11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 7.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413747
PNG
(CHEMBL61741)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(10(19)3-9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413747
PNG
(CHEMBL61741)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(10(19)3-9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487834
PNG
(CHEMBL225838)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H21N5O5/c1-27-11-4-2-10(3-5-11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412038
PNG
(CHEMBL540448)
Show SMILES Cc1ccccc1CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N4O4S/c1-10-4-2-3-5-11(10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 7.69E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412038
PNG
(CHEMBL540448)
Show SMILES Cc1ccccc1CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N4O4S/c1-10-4-2-3-5-11(10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412062
PNG
(CHEMBL294755)
Show SMILES Cc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H20N4O4S/c1-10-2-4-11(5-3-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412062
PNG
(CHEMBL294755)
Show SMILES Cc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H20N4O4S/c1-10-2-4-11(5-3-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366955
PNG
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 8.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366955
PNG
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 8.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366951
PNG
(BDBM50413726 | CHEMBL60735 | CHEMBL610654)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3F)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487845
PNG
(CHEMBL225895)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(F)cc3F)ncnc12
Show InChI InChI=1S/C17H17F2N5O4/c18-9-2-1-8(10(19)3-9)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366951
PNG
(BDBM50413726 | CHEMBL60735 | CHEMBL610654)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3F)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487845
PNG
(CHEMBL225895)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(F)cc3F)ncnc12
Show InChI InChI=1S/C17H17F2N5O4/c18-9-2-1-8(10(19)3-9)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487835
PNG
(P-CYANO-N6-BENZYLADENOSINE)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H18N6O4/c19-5-10-1-3-11(4-2-10)6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,6-7H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487835
PNG
(P-CYANO-N6-BENZYLADENOSINE)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H18N6O4/c19-5-10-1-3-11(4-2-10)6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,6-7H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487839
PNG
(CHEMBL389706)
Show SMILES Cc1cccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H21N5O4/c1-10-3-2-4-11(5-10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 8.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487839
PNG
(CHEMBL389706)
Show SMILES Cc1cccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H21N5O4/c1-10-3-2-4-11(5-10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413742
PNG
(CHEMBL59195)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C18H17F3N4O4S/c19-18(20,21)10-3-1-2-9(4-10)6-30-16-12-15(22-7-23-16)25(8-24-12)17-14(28)13(27)11(5-26)29-17/h1-4,7-8,11,13-14,17,26-28H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413749
PNG
(CHEMBL59683)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3c(F)cccc3Cl)ncnc12
Show InChI InChI=1S/C17H16ClFN4O4S/c18-9-2-1-3-10(19)8(9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487847
PNG
(CHEMBL225840)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(OC)c1
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-3-10(12(5-11)29-2)6-20-17-14-18(22-8-21-17)24(9-23-14)19-16(27)15(26)13(7-25)30-19/h3-5,8-9,13,15-16,19,25-27H,6-7H2,1-2H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487843
PNG
(CHEMBL225785)
Show SMILES COc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O5/c1-27-11-5-3-2-4-10(11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413749
PNG
(CHEMBL59683)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3c(F)cccc3Cl)ncnc12
Show InChI InChI=1S/C17H16ClFN4O4S/c18-9-2-1-3-10(19)8(9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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n/an/a 8.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487843
PNG
(CHEMBL225785)
Show SMILES COc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O5/c1-27-11-5-3-2-4-10(11)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)28-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487847
PNG
(CHEMBL225840)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(OC)c1
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-3-10(12(5-11)29-2)6-20-17-14-18(22-8-21-17)24(9-23-14)19-16(27)15(26)13(7-25)30-19/h3-5,8-9,13,15-16,19,25-27H,6-7H2,1-2H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413742
PNG
(CHEMBL59195)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C18H17F3N4O4S/c19-18(20,21)10-3-1-2-9(4-10)6-30-16-12-15(22-7-23-16)25(8-24-12)17-14(28)13(27)11(5-26)29-17/h1-4,7-8,11,13-14,17,26-28H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 8.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50240561
PNG
((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2/t11-,13-,14-,17-/m1/s1
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n/an/a 9.29E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487833
PNG
(CHEMBL389929)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C17H17Cl2N5O4/c18-9-2-1-8(10(19)3-9)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50240561
PNG
((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2/t11-,13-,14-,17-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487833
PNG
(CHEMBL389929)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C17H17Cl2N5O4/c18-9-2-1-8(10(19)3-9)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487832
PNG
(CHEMBL2263381)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(F)c1
Show InChI InChI=1S/C18H20FN5O5/c1-28-10-3-2-9(11(19)4-10)5-20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(6-25)29-18/h2-4,7-8,12,14-15,18,25-27H,5-6H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487832
PNG
(CHEMBL2263381)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(F)c1
Show InChI InChI=1S/C18H20FN5O5/c1-28-10-3-2-9(11(19)4-10)5-20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(6-25)29-18/h2-4,7-8,12,14-15,18,25-27H,5-6H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
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n/an/a 9.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366949
PNG
(BDBM50413728 | CHEMBL418496 | CHEMBL611841)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366949
PNG
(BDBM50413728 | CHEMBL418496 | CHEMBL611841)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487840
PNG
(CHEMBL2263380)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3Cl)C#N)ncnc12
Show InChI InChI=1S/C18H17ClN6O4/c19-11-3-9(4-20)1-2-10(11)5-21-16-13-17(23-7-22-16)25(8-24-13)18-15(28)14(27)12(6-26)29-18/h1-3,7-8,12,14-15,18,26-28H,5-6H2,(H,21,22,23)/t12-,14-,15-,18-/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413748
PNG
(CHEMBL58072)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(3-10(9)19)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487836
PNG
(CHEMBL389707)
Show SMILES Cc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H21N5O4/c1-10-2-4-11(5-3-10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
n/an/a 1.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487836
PNG
(CHEMBL389707)
Show SMILES Cc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H21N5O4/c1-10-2-4-11(5-3-10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
n/an/a 1.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487844
PNG
(CHEMBL387918)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H18ClN5O4/c18-10-4-2-1-3-9(10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
n/an/a 1.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50487844
PNG
(CHEMBL387918)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H18ClN5O4/c18-10-4-2-1-3-9(10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
n/an/a 1.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
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