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Assay Detail

CHEMBL4009341

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

Binding
Inhibition of full length recombinant human ALDH1A3 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of propionaldehyde as substrate in presence of NAD+ by spectrophotometric method
10
Total Activities
10
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

Retinaldehyde dehydrogenase 3 (CHEMBL3579)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
Buchman CD, Hurley TD.
J Med Chem (2017) 60 : 2439 -2455
PubMed 28219011 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 5.93 6.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1349972 1 6.77
CHEMBL4072941 1 6.57
CHEMBL4099822 1 6.40
CHEMBL4064364 1 5.96
CHEMBL4072973 1 5.00
CHEMBL1335126 1 4.85
CHEMBL315348 1 -
CHEMBL4090473 1 -
CHEMBL486422 DAIDZIN 1 -
CHEMBL4061563 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1349972 IC50 = 170.0 nM 6.77
CHEMBL4072941 IC50 = 270.0 nM 6.57
CHEMBL4099822 IC50 = 400.0 nM 6.40
CHEMBL4064364 IC50 = 1100.0 nM 5.96
CHEMBL4072973 IC50 = 10000.0 nM 5.00
CHEMBL1335126 IC50 = 14000.0 nM 4.85
CHEMBL315348 IC50 - -
CHEMBL4090473 IC50 - -
CHEMBL486422 DAIDZIN IC50 > 200000.0 nM -
CHEMBL4061563 IC50 - -