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Assay Detail

CHEMBL1176972

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

Binding
Inhibition of Trypanosoma brucei 6PGDH expressed in Escherichia coli by spectroscopy
17
Total Activities
17
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Trypanosoma brucei
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase.
Ruda GF, Campbell G, Alibu VP, Barrett MP, Brenk R, Gilbert IH.
Bioorg Med Chem (2010) 18 : 5056 -5062
PubMed 20598892 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 4.38 5.24
Ki 6 6.81 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL116018 1 8.00
CHEMBL324609 1 7.46
CHEMBL114269 1 7.10
CHEMBL1160945 1 6.89
CHEMBL1173785 1 6.02
CHEMBL1173784 1 5.36
CHEMBL1173716 1 5.24
CHEMBL1173650 1 4.55
CHEMBL507614 1 4.38
CHEMBL1173717 1 4.38
CHEMBL1171074 1 4.37
CHEMBL1173367 1 4.35
CHEMBL1173371 1 4.29
CHEMBL1173715 1 4.28
CHEMBL1171264 1 4.25
CHEMBL1173370 1 4.14
CHEMBL1173372 1 3.94

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL116018 Ki = 10.0 nM 8.00
CHEMBL324609 Ki = 35.0 nM 7.46
CHEMBL114269 Ki = 80.0 nM 7.10
CHEMBL1160945 Ki = 130.0 nM 6.89
CHEMBL1173785 Ki = 950.0 nM 6.02
CHEMBL1173784 Ki = 4400.0 nM 5.36
CHEMBL1173716 IC50 = 5800.0 nM 5.24
CHEMBL1173650 IC50 = 28000.0 nM 4.55
CHEMBL507614 IC50 = 42000.0 nM 4.38
CHEMBL1173717 IC50 = 42000.0 nM 4.38
CHEMBL1171074 IC50 = 43000.0 nM 4.37
CHEMBL1173367 IC50 = 45000.0 nM 4.35
CHEMBL1173371 IC50 = 51000.0 nM 4.29
CHEMBL1173715 IC50 = 53000.0 nM 4.28
CHEMBL1171264 IC50 = 56000.0 nM 4.25
CHEMBL1173370 IC50 = 73000.0 nM 4.14
CHEMBL1173372 IC50 = 114000.0 nM 3.94