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Assay Detail

CHEMBL3096566

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

Binding
Binding affinity to Escherichia coli J96 FimH lectin domain (Phe1 to Thr158) expressed in Escherichia coli C43 (DE3) by isothermal titration calorimetry assay
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli J96
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of FimH.
Roos G, Wellens A, Touaibia M, Yamakawa N, Geerlings P, Roy R, Wyns L, Bouckaert J.
ACS Med Chem Lett (2013) 4 : 1085 -1090
PubMed 24900609 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 7 7.35 8.14

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1170455 1 8.14
CHEMBL3092402 1 7.74
CHEMBL3092403 1 7.22
CHEMBL3092401 1 7.22
CHEMBL3092409 1 6.98
CHEMBL1170454 BUTYLALPHAMAN 1 6.81
CHEMBL3092243 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1170455 Kd = 7.3 nM 8.14
CHEMBL3092402 Kd = 18.3 nM 7.74
CHEMBL3092403 Kd = 59.5 nM 7.22
CHEMBL3092401 Kd = 59.5 nM 7.22
CHEMBL3092409 Kd = 104.6 nM 6.98
CHEMBL1170454 BUTYLALPHAMAN Kd = 153.6 nM 6.81
CHEMBL3092243 Kd - -