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Assay Detail

CHEMBL3242260

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

Binding
Inhibition of HSP90 in HEK cells expressing full-length mHtt Q73 gene assessed as reduction of mHtt level after 24 hrs by Western blot analysis
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Heat shock protein HSP 90-beta (CHEMBL4303)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of novel HSP90α/β isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease.
Ernst JT, Neubert T, Liu M, Sperry S, Zuccola H, Turnbull A, Fleck B, Kargo W, Woody L, Chiang P, Tran D, Chen W, Snyder P, Alcacio T, Nezami A, Reynolds J, Alvi K, Goulet L, Stamos D.
J Med Chem (2014) 57 : 3382 -3400
PubMed 24673104 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 6.62 7.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3235355 1 7.72
CHEMBL3235353 1 7.62
CHEMBL3235354 1 7.44
CHEMBL3235345 1 7.14
CHEMBL3235361 1 7.10
CHEMBL3235362 1 7.09
CHEMBL3235338 1 7.05
CHEMBL3235335 1 6.96
CHEMBL3235334 1 6.92
CHEMBL3235333 1 6.92
CHEMBL3235343 1 6.85
CHEMBL3235350 1 6.84
CHEMBL3235339 1 6.72
CHEMBL3235336 1 6.72
CHEMBL3235356 1 6.71
CHEMBL3235341 1 6.66
CHEMBL3235352 1 6.65
CHEMBL3235360 1 6.64
CHEMBL3235363 1 6.55
CHEMBL3235340 1 6.38
CHEMBL3235342 1 6.35
CHEMBL3235359 1 6.32
CHEMBL3235351 1 6.28
CHEMBL3235337 1 6.14
CHEMBL3235344 1 6.03
CHEMBL3235357 1 6.00
CHEMBL3235358 1 5.77
CHEMBL3235349 1 5.44
CHEMBL3235347 1 5.07
CHEMBL3235348 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3235355 IC50 = 19.0 nM 7.72
CHEMBL3235353 IC50 = 24.0 nM 7.62
CHEMBL3235354 IC50 = 36.0 nM 7.44
CHEMBL3235345 IC50 = 73.0 nM 7.14
CHEMBL3235361 IC50 = 80.0 nM 7.10
CHEMBL3235362 IC50 = 81.0 nM 7.09
CHEMBL3235338 IC50 = 90.0 nM 7.05
CHEMBL3235335 IC50 = 110.0 nM 6.96
CHEMBL3235334 IC50 = 120.0 nM 6.92
CHEMBL3235333 IC50 = 120.0 nM 6.92
CHEMBL3235343 IC50 = 140.0 nM 6.85
CHEMBL3235350 IC50 = 143.0 nM 6.84
CHEMBL3235339 IC50 = 190.0 nM 6.72
CHEMBL3235336 IC50 = 190.0 nM 6.72
CHEMBL3235356 IC50 = 195.0 nM 6.71
CHEMBL3235341 IC50 = 220.0 nM 6.66
CHEMBL3235352 IC50 = 222.0 nM 6.65
CHEMBL3235360 IC50 = 230.0 nM 6.64
CHEMBL3235363 IC50 = 280.0 nM 6.55
CHEMBL3235340 IC50 = 420.0 nM 6.38
CHEMBL3235342 IC50 = 450.0 nM 6.35
CHEMBL3235359 IC50 = 480.0 nM 6.32
CHEMBL3235351 IC50 = 530.0 nM 6.28
CHEMBL3235337 IC50 = 720.0 nM 6.14
CHEMBL3235344 IC50 = 930.0 nM 6.03
CHEMBL3235357 IC50 = 1000.0 nM 6.00
CHEMBL3235358 IC50 = 1700.0 nM 5.77
CHEMBL3235349 IC50 = 3600.0 nM 5.44
CHEMBL3235347 IC50 = 8500.0 nM 5.07
CHEMBL3235348 IC50 > 10000.0 nM -
CHEMBL3235346 IC50 > 10000.0 nM -