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Assay Detail

CHEMBL3822089

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

Binding
Binding affinity to His8-tagged Lactococcus lactis ThiT expressed in Lactococcus lactis NZ9000 cells by intrinsic fluorescence titration assay
6
Total Activities
6
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Lactococcus lactis
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design and synthesis of thiamine analogues to study their binding to the ECF transporter for thiamine in bacteria
Monjas L, Swier LJYM, de Voogd AR, Oudshoorn RC, Hirsch AKH, Slotboom DJ
Medchemcomm (2016) 7 : 966 -971
· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 6 8.09 9.91

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1588 THIAMINE 4.0 1 9.91
CHEMBL401772 3-DEAZATHIAMINE 1 8.37
CHEMBL3818038 1 8.30
CHEMBL401572 1 8.07
CHEMBL255550 1 7.87
CHEMBL257285 1 5.99

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1588 THIAMINE Kd = 0.122 nM 9.91
CHEMBL401772 3-DEAZATHIAMINE Kd = 4.23 nM 8.37
CHEMBL3818038 Kd = 5.04 nM 8.30
CHEMBL401572 Kd = 8.48 nM 8.07
CHEMBL255550 Kd = 13.58 nM 7.87
CHEMBL257285 Kd = 1025.0 nM 5.99