BindingDB logo
myBDB logout

PubMed code 20456959

Compile data set for download or QSAR
Found 22 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
Adenosine kinase


(Toxoplasma gondii)
BDBM50316806
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES Cc1ccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-11-2-4-12(5-3-11)8-27-19-15-18(20-9-21-19)23(10-22-15)14-6-13(7-24)16(25)17(14)26/h2-5,9-10,13-14,16-17,24-26H,6-8H2,1H3/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.43E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316801
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C18H19ClN4O3S/c19-12-3-1-10(2-4-12)7-27-18-14-17(20-8-21-18)23(9-22-14)13-5-11(6-24)15(25)16(13)26/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.56E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316811
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C18H18Cl2N4O3S/c19-11-2-1-9(3-12(11)20)6-28-18-14-17(21-7-22-18)24(8-23-14)13-4-10(5-25)15(26)16(13)27/h1-3,7-8,10,13,15-16,25-27H,4-6H2/t10-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.68E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316802
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Br)cc3)ncnc12
Show InChI InChI=1S/C18H19BrN4O3S/c19-12-3-1-10(2-4-12)7-27-18-14-17(20-8-21-18)23(9-22-14)13-5-11(6-24)15(25)16(13)26/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.11E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316798
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C19H19F3N4O3S/c20-19(21,22)12-3-1-2-10(4-12)7-30-18-14-17(23-8-24-18)26(9-25-14)13-5-11(6-27)15(28)16(13)29/h1-4,8-9,11,13,15-16,27-29H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.22E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316795
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C18H19ClN4O3S/c19-12-4-2-1-3-10(12)7-27-18-14-17(20-8-21-18)23(9-22-14)13-5-11(6-24)15(25)16(13)26/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.42E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316796
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES Cc1ccccc1CSc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22N4O3S/c1-11-4-2-3-5-12(11)8-27-19-15-18(20-9-21-19)23(10-22-15)14-6-13(7-24)16(25)17(14)26/h2-5,9-10,13-14,16-17,24-26H,6-8H2,1H3/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.49E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316797
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C18H19N5O5S/c24-6-11-5-13(16(26)15(11)25)22-9-21-14-17(22)19-8-20-18(14)29-7-10-2-1-3-12(4-10)23(27)28/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.66E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316799
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C19H22N4O3S/c1-11-3-2-4-12(5-11)8-27-19-15-18(20-9-21-19)23(10-22-15)14-6-13(7-24)16(25)17(14)26/h2-5,9-10,13-14,16-17,24-26H,6-8H2,1H3/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.68E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316812
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3c(F)cccc3Cl)ncnc12
Show InChI InChI=1S/C18H18ClFN4O3S/c19-11-2-1-3-12(20)10(11)6-28-18-14-17(21-7-22-18)24(8-23-14)13-4-9(5-25)15(26)16(13)27/h1-3,7-9,13,15-16,25-27H,4-6H2/t9-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.13E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316800
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C18H19FN4O3S/c19-12-3-1-10(2-4-12)7-27-18-14-17(20-8-21-18)23(9-22-14)13-5-11(6-24)15(25)16(13)26/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.19E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316805
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H22N4O5S/c1-29-20(28)12-4-2-11(3-5-12)8-30-19-15-18(21-9-22-19)24(10-23-15)14-6-13(7-25)16(26)17(14)27/h2-5,9-10,13-14,16-17,25-27H,6-8H2,1H3/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.09E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316794
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3F)ncnc12
Show InChI InChI=1S/C18H19FN4O3S/c19-12-4-2-1-3-10(12)7-27-18-14-17(20-8-21-18)23(9-22-14)13-5-11(6-24)15(25)16(13)26/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.48E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316810
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C18H18Cl2N4O3S/c19-11-2-1-9(12(20)4-11)6-28-18-14-17(21-7-22-18)24(8-23-14)13-3-10(5-25)15(26)16(13)27/h1-2,4,7-8,10,13,15-16,25-27H,3,5-6H2/t10-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.07E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316809
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES COc1ccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H22N4O4S/c1-27-13-4-2-11(3-5-13)8-28-19-15-18(20-9-21-19)23(10-22-15)14-6-12(7-24)16(25)17(14)26/h2-5,9-10,12,14,16-17,24-26H,6-8H2,1H3/t12-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.20E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316813
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1
Show InChI InChI=1S/C21H26N4O3S/c1-11-4-12(2)15(13(3)5-11)8-29-21-17-20(22-9-23-21)25(10-24-17)16-6-14(7-26)18(27)19(16)28/h4-5,9-10,14,16,18-19,26-28H,6-8H2,1-3H3/t14-,16-,18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.31E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316808
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C19H19F3N4O4S/c20-19(21,22)30-12-3-1-10(2-4-12)7-31-18-14-17(23-8-24-18)26(9-25-14)13-5-11(6-27)15(28)16(13)29/h1-4,8-9,11,13,15-16,27-29H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.55E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316807
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES CS(=O)(=O)c1ccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H22N4O5S2/c1-30(27,28)13-4-2-11(3-5-13)8-29-19-15-18(20-9-21-19)23(10-22-15)14-6-12(7-24)16(25)17(14)26/h2-5,9-10,12,14,16-17,24-26H,6-8H2,1H3/t12-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.37E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316803
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C18H19N5O5S/c24-6-11-5-13(16(26)15(11)25)22-9-21-14-17(22)19-8-20-18(14)29-7-10-1-3-12(4-2-10)23(27)28/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.41E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316793
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H20N4O3S/c23-7-12-6-13(16(25)15(12)24)22-10-21-14-17(22)19-9-20-18(14)26-8-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,23-25H,6-8H2/t12-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50316804
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C19H19N5O3S/c20-6-11-1-3-12(4-2-11)8-28-19-15-18(21-9-22-19)24(10-23-15)14-5-13(7-25)16(26)17(14)27/h1-4,9-10,13-14,16-17,25-27H,5,7-8H2/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.29E+5n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%