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Assay Detail

CHEMBL2330673

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

Binding
Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry
6
Total Activities
6
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pseudomonas putida
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Steroid Delta-isomerase (CHEMBL2321641)
Type SINGLE PROTEIN
Organism Pseudomonas putida

Publication

Incorporation of rapid thermodynamic data in fragment-based drug discovery.
Kobe A, Caaveiro JM, Tashiro S, Kajihara D, Kikkawa M, Mitani T, Tsumoto K.
J Med Chem (2013) 56 : 2155 -2159
PubMed 23419007 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 6 4.34 4.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL406393 DEOXYCHOLIC ACID 4.0 1 4.80
CHEMBL1499599 1 4.66
CHEMBL1338939 1 4.34
CHEMBL107281 1 4.30
CHEMBL382602 1 4.20
CHEMBL2322559 1 3.75

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL406393 DEOXYCHOLIC ACID Kd = 16000.0 nM 4.80
CHEMBL1499599 Kd = 22000.0 nM 4.66
CHEMBL1338939 Kd = 46000.0 nM 4.34
CHEMBL107281 Kd = 50000.0 nM 4.30
CHEMBL382602 Kd = 63000.0 nM 4.20
CHEMBL2322559 Kd = 180000.0 nM 3.75