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Assay Detail

CHEMBL4201991

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Binding
Inhibition of human ALDH1A1
3
Total Activities
3
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

Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
Huddle BC, Grimley E, Buchman CD, Chtcherbinine M, Debnath B, Mehta P, Yang K, Morgan CA, Li S, Felton J, Sun D, Mehta G, Neamati N, Buckanovich RJ, Hurley TD, Larsen SD.
J Med Chem (2018) 61 : 8754 -8773
PubMed 30221940 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 6.65 7.24
Ki 1 6.54 6.54

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3416563 1 7.24
CHEMBL3276621 1 6.54
CHEMBL4217738 1 6.05

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3416563 IC50 = 57.0 nM 7.24
CHEMBL3276621 Ki = 285.0 nM 6.54
CHEMBL4217738 IC50 = 900.0 nM 6.05