Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL3063318

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of Toxoplasma gondii adenosine kinase
ChEMBL ↗
103
Total Activities
42
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Toxoplasma gondii
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Adenosine kinase (CHEMBL2982) ↗
Type SINGLE PROTEIN
Organism Toxoplasma gondii

Publication

Molecular modeling of the Toxoplasma gondii adenosine kinase inhibitors
da Cunha EFF, Mancini DT, Ramalho TC
Med Chem Res (2012) 21 : 590 -600
· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 83 4.93 5.46
Ki 20 5.54 6.16

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL61741 — — 3 6.16
CHEMBL61915 — — 3 6.05
CHEMBL418509 NITROBENZYLMERCAPTOPURINE RIBONUCLEOSIDE — 3 5.96
CHEMBL418496 — — 3 5.92
CHEMBL59168 — — 3 5.89
CHEMBL292374 — — 3 5.85
CHEMBL540448 — — 3 5.82
CHEMBL61387 — — 3 5.68
CHEMBL60662 6-BENZYLTHIOINOSINE — 3 5.62
CHEMBL58072 — — 3 5.60
CHEMBL61524 — — 3 5.58
CHEMBL59195 — — 3 5.54
CHEMBL61773 — — 3 5.52
CHEMBL294755 — — 3 5.48
CHEMBL225838 — — 2 5.14
CHEMBL430946 — — 3 5.12
CHEMBL225895 — — 2 5.09
CHEMBL60735 — — 2 5.09
CHEMBL2263377 P-CYANO-N6-BENZYLADENOSINE — 2 5.08
CHEMBL389706 — — 2 5.07
CHEMBL225785 — — 2 5.06
CHEMBL59683 — — 3 5.06
CHEMBL225840 — — 2 5.06
CHEMBL389929 — — 2 5.03
CHEMBL2263381 — — 2 5.02
CHEMBL2263380 — — 2 4.98
CHEMBL389707 — — 2 4.98
CHEMBL387918 — — 2 4.97
CHEMBL225839 — — 2 4.84
CHEMBL2263382 P-ACETOXY-6-BENZYLTHIOINOSINE — 3 4.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL61741 — Ki = 700.0 nM 6.16
CHEMBL61915 — Ki = 900.0 nM 6.05
CHEMBL418509 NITROBENZYLMERCAPTOPURINE RIBONUCLEOSIDE Ki = 1100.0 nM 5.96
CHEMBL418496 — Ki = 1200.0 nM 5.92
CHEMBL59168 — Ki = 1300.0 nM 5.89
CHEMBL292374 — Ki = 1400.0 nM 5.85
CHEMBL540448 — Ki = 1500.0 nM 5.82
CHEMBL61387 — Ki = 2100.0 nM 5.68
CHEMBL60662 6-BENZYLTHIOINOSINE Ki = 2400.0 nM 5.62
CHEMBL58072 — Ki = 2500.0 nM 5.60
CHEMBL61524 — Ki = 2600.0 nM 5.58
CHEMBL59195 — Ki = 2900.0 nM 5.54
CHEMBL61773 — Ki = 3000.0 nM 5.52
CHEMBL294755 — Ki = 3300.0 nM 5.48
CHEMBL61524 — IC50 = 3500.0 nM 5.46
CHEMBL61524 — IC50 = 3499.45 nM 5.46
CHEMBL61915 — IC50 = 4300.0 nM 5.37
CHEMBL61915 — IC50 = 4295.36 nM 5.37
CHEMBL61773 — IC50 = 6200.0 nM 5.21
CHEMBL61773 — IC50 = 6194.41 nM 5.21
CHEMBL292374 — IC50 = 6700.0 nM 5.17
CHEMBL292374 — IC50 = 6698.85 nM 5.17
CHEMBL225838 — IC50 = 7194.49 nM 5.14
CHEMBL61741 — IC50 = 7294.58 nM 5.14
CHEMBL61741 — IC50 = 7300.0 nM 5.14
CHEMBL430946 — Ki = 7500.0 nM 5.12
CHEMBL225838 — IC50 = 7500.0 nM 5.12
CHEMBL540448 — IC50 = 7700.0 nM 5.11
CHEMBL294755 — IC50 = 7800.0 nM 5.11
CHEMBL294755 — IC50 = 7798.3 nM 5.11
CHEMBL540448 — IC50 = 7691.3 nM 5.11
CHEMBL61387 — IC50 = 8110.0 nM 5.09
CHEMBL59168 — IC50 = 8200.0 nM 5.09
CHEMBL225895 — IC50 = 8203.52 nM 5.09
CHEMBL61387 — IC50 = 8109.61 nM 5.09
CHEMBL59168 — IC50 = 8203.52 nM 5.09
CHEMBL60735 — IC50 = 8203.52 nM 5.09
CHEMBL225895 — IC50 = 8200.0 nM 5.09
CHEMBL60735 — IC50 = 8200.0 nM 5.09
CHEMBL2263377 P-CYANO-N6-BENZYLADENOSINE IC50 = 8300.0 nM 5.08
CHEMBL2263377 P-CYANO-N6-BENZYLADENOSINE IC50 = 8298.51 nM 5.08
CHEMBL389706 — IC50 = 8491.8 nM 5.07
CHEMBL389706 — IC50 = 8500.0 nM 5.07
CHEMBL225785 — IC50 = 8700.0 nM 5.06
CHEMBL225840 — IC50 = 8709.64 nM 5.06
CHEMBL59195 — IC50 = 8700.0 nM 5.06
CHEMBL225840 — IC50 = 8700.0 nM 5.06
CHEMBL59683 — IC50 = 8700.0 nM 5.06
CHEMBL59683 — IC50 = 8709.64 nM 5.06
CHEMBL225785 — IC50 = 8709.64 nM 5.06