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Assay Detail

CHEMBL4059438

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ADMET
Binding affinity to human His-tagged N-terminal HSP90 (1 to 693 residues) expressed in Escherichia coli Rosetta2 (DE3) at 298 K by ITC assay
1
Total Activities
1
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 5 — Multiple protein complex / RNA
Curated By Autocuration

Target

Heat shock protein HSP90 (CHEMBL2095165)
Type PROTEIN FAMILY
Organism Homo sapiens

Publication

Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
Que NLS, Crowley VM, Duerfeldt AS, Zhao J, Kent CN, Blagg BSJ, Gewirth DT.
J Med Chem (2018) 61 : 2793 -2805
PubMed 29528635 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 1 6.09 6.09

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3426787 1 6.09

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3426787 Kd = 810.0 nM 6.09