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Assay Detail

CHEMBL3806520

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

Binding
Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 expressed in Escherichia coli C41 (DE3) cells by UV-visible spectroscopy
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mycobacterium tuberculosis
Cell Type C41(DE3)
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Mycocyclosin synthase (CHEMBL1681615)
Type SINGLE PROTEIN
Organism Mycobacterium tuberculosis

Publication

Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
Kavanagh ME, Coyne AG, McLean KJ, James GG, Levy CW, Marino LB, de Carvalho LP, Chan DS, Hudson SA, Surade S, Leys D, Munro AW, Abell C.
J Med Chem (2016) 59 : 3272 -3302
PubMed 27002486 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 5 6.06 7.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3806115 1 7.82
CHEMBL3804971 1 7.47
CHEMBL3805159 1 6.54
CHEMBL3806191 1 4.85
CHEMBL3806237 1 3.64

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3806115 Kd = 15.0 nM 7.82
CHEMBL3804971 Kd = 34.0 nM 7.47
CHEMBL3805159 Kd = 290.0 nM 6.54
CHEMBL3806191 Kd = 14000.0 nM 4.85
CHEMBL3806237 Kd = 230000.0 nM 3.64