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Compile Data Set for Download or QSAR

Found 903 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase'   
Target
(Institution)
LigandTarget
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


(Homo sapiens)
BDBM50375654
PNG
(CHEMBL99203)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of adhenosine kinase


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


(Homo sapiens)
BDBM50375654
PNG
(CHEMBL99203)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50368712
PNG
(CHEMBL608051)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-6,10,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1
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40n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50368710
PNG
(CHEMBL607761)
Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12
Show InChI InChI=1S/C10H13IN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50368709
PNG
(CHEMBL607766)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11FIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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160n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50368707
PNG
(CHEMBL612205)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12
Show InChI InChI=1S/C10H12IN5O3/c1-3-5(17)6(18)10(19-3)16-9-4(7(11)15-16)8(12)13-2-14-9/h2-3,5-6,10,17-18H,1H3,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1
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170n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50368708
PNG
(CHEMBL611890)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11ClIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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300n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50100587
PNG
((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O
Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Nucleic Acid Research Institute

Curated by ChEMBL


Assay Description
Inhibition of adenosine kinase from undialyzed W1-L2 lysate (0-50 uM)


J Med Chem 31: 786-90 (1988)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252013
PNG
(4-[(4-Cyanobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C19H18N4O4S/c20-7-11-1-3-12(4-2-11)9-28-18-13-5-6-23(17(13)21-10-22-18)19-16(26)15(25)14(8-24)27-19/h1-6,10,14-16,19,24-26H,8-9H2/t14-,15-,16-,19-/m1/s1
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5.20E+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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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


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


(Toxoplasma gondii)
BDBM50252116
PNG
(4-[(2-Chloro-6-fluorobenzyl)thio]-7-(beta-D-ribofu...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3c(F)cccc3Cl)ncnc12
Show InChI InChI=1S/C18H17ClFN3O4S/c19-11-2-1-3-12(20)10(11)7-28-17-9-4-5-23(16(9)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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7.20E+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


Citation and Details
More data for this
Ligand-Target Pair
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
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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


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


(Homo sapiens)
BDBM50368706
PNG
(CHEMBL607762)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11IN8O3/c11-7-4-8(12)14-2-15-9(4)19(17-7)10-6(21)5(20)3(22-10)1-16-18-13/h2-3,5-6,10,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,10?/m1/s1
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8.50E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)

More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50251864
PNG
(4-[(3-Methylbenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES Cc1cccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C19H21N3O4S/c1-11-3-2-4-12(7-11)9-27-18-13-5-6-22(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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8.50E+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


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


(Toxoplasma gondii)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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8.90E+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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50010685
PNG
((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 383-93 (1992)

More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




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


(Toxoplasma gondii)
BDBM50251909
PNG
(4-[(4-Chlorobenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C18H18ClN3O4S/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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1.10E+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


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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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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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
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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


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


(Toxoplasma gondii)
BDBM50251863
PNG
(4-[(3-Trifluoromethylbenzyl)thio]-7-(beta-D-ribofu...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C19H18F3N3O4S/c20-19(21,22)11-3-1-2-10(6-11)8-30-17-12-4-5-25(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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2.20E+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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
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
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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


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


(Toxoplasma gondii)
BDBM50252114
PNG
(4-[(2,4-Dichlorobenzyl)thio]-7-(beta-D-ribofuranos...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C18H17Cl2N3O4S/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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2.60E+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


Citation and Details
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
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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


Citation and Details
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
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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


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


(Toxoplasma gondii)
BDBM50241445
PNG
((2R,3R,4S,5R)-2-(4-(benzylthio)-7H-pyrrolo[2,3-d]p...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H19N3O4S/c22-8-13-14(23)15(24)18(25-13)21-7-6-12-16(21)19-10-20-17(12)26-9-11-4-2-1-3-5-11/h1-7,10,13-15,18,22-24H,8-9H2/t13-,14-,15-,18-/m1/s1
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2.80E+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


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


(Toxoplasma gondii)
BDBM50252115
PNG
(4-[(3,4-Dichlorobenzyl)thio]-7-(beta-D-ribofuranos...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C18H17Cl2N3O4S/c19-11-2-1-9(5-12(11)20)7-28-17-10-3-4-23(16(10)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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2.90E+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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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


(Toxoplasma gondii)
BDBM50251865
PNG
(4-[(4-Fluorobenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C18H18FN3O4S/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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3.70E+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


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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3.77E+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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
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