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Assay Detail

CHEMBL3136322

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Binding
Inhibition of His-tagged Mycobacterium tuberculosis DXR expressed in Escherichia coli BL21(DE3) using DXP as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by NADPH and substrate addition by spectrophotometric analysis
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mycobacterium tuberculosis
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design of Potential Bisubstrate Inhibitors against Mycobacterium tuberculosis (Mtb) 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase (Dxr)-Evidence of a Novel Binding Mode.
San Jose G, Jackson ER, Uh E, Johny C, Haymond A, Lundberg L, Pinkham C, Kehn-Hall K, Boshoff HI, Couch RD, Dowd CS.
Medchemcomm (2013) 4 : 1099 -1104
PubMed 23914289 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 5.15 6.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL203125 FOSMIDOMYCIN 3.0 1 6.51
CHEMBL1922604 1 5.62
CHEMBL3133710 1 4.75
CHEMBL3133709 1 4.57
CHEMBL3133715 1 4.32

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL203125 FOSMIDOMYCIN IC50 = 310.0 nM 6.51
CHEMBL1922604 IC50 = 2390.0 nM 5.62
CHEMBL3133710 IC50 = 17800.0 nM 4.75
CHEMBL3133709 IC50 = 26900.0 nM 4.57
CHEMBL3133715 IC50 = 48400.0 nM 4.32