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Assay Detail

CHEMBL4606616

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Binding
Binding affinity to 15N-labeled FKBP51 (1 to 140 residues) (unknown origin) expressed in Escherichia coli OD2N by two-dimensional 1H/15N HSQC NMR spectroscopy
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Peptidyl-prolyl cis-trans isomerase FKBP5 (CHEMBL2052031)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
Draxler SW, Bauer M, Eickmeier C, Nadal S, Nar H, Rangel Rojas D, Seeliger D, Zeeb M, Fiegen D.
J Med Chem (2020) 63 : 5856 -5864
PubMed 32420743 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 4 2.59 2.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL662 1 2.89
CHEMBL12193 1 2.55
CHEMBL1230309 1 2.54
CHEMBL540 IMIDAZOLE 1 2.36

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL662 Kd = 1300000.0 nM 2.89
CHEMBL12193 Kd = 2800000.0 nM 2.55
CHEMBL1230309 Kd = 2900000.0 nM 2.54
CHEMBL540 IMIDAZOLE Kd = 4400000.0 nM 2.36