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Assay Detail

CHEMBL4189997

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

Binding
Stabilization of ALDH1A1 in human OV90 cells assessed as increase in melting temperature after 1 hr by CETSA
7
Total Activities
5
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Aldehyde dehydrogenase 1A1 (CHEMBL3577)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity.
Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ.
J Med Chem (2018) 61 : 4883 -4903
PubMed 29767973 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 5 5.70 5.70
Delta Tm 2 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4206892 2 5.70
CHEMBL4206272 2 5.70
CHEMBL4214533 1 5.70
CHEMBL4207617 1 5.70
CHEMBL4212457 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4214533 EC50 = 2000.0 nM 5.70
CHEMBL4207617 EC50 = 2000.0 nM 5.70
CHEMBL4206892 EC50 = 2000.0 nM 5.70
CHEMBL4206272 EC50 = 2000.0 nM 5.70
CHEMBL4212457 EC50 > 5000.0 nM -
CHEMBL4206892 Delta Tm = 3.0 degrees C -
CHEMBL4206272 Delta Tm = 3.0 degrees C -