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Assay Detail

CHEMBL4708026

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

Binding
Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate
24
Total Activities
24
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

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

Publication

Design, synthesis characterization and biological evaluation of novel multi-isoform ALDH inhibitors as potential anticancer agents.
Dinavahi,SS.; Gowda,R.; Bazewicz,CG.; Battu,MB.; Lin,JM.; Chitren,RJ.; Pandey,MK.; Amin,S.; Robertson,GP.; Gowda,K.
Eur J Med Chem (2020) 187 : 111962 -111962
PubMed 31887569 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 6.10 6.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4793869 1 6.75
CHEMBL4745360 1 6.64
CHEMBL4755837 1 6.57
CHEMBL4777582 1 6.55
CHEMBL4754311 1 6.54
CHEMBL4742685 1 6.48
CHEMBL4755996 1 6.48
CHEMBL4740863 1 6.44
CHEMBL4752256 1 6.42
CHEMBL4796029 1 6.40
CHEMBL4764389 1 6.38
CHEMBL4753971 1 6.22
CHEMBL4763602 1 6.18
CHEMBL4791741 1 5.98
CHEMBL4787646 1 5.77
CHEMBL4778505 1 5.33
CHEMBL4793636 1 5.29
CHEMBL4798414 1 5.28
CHEMBL4781762 1 5.19
CHEMBL4797385 1 5.07
CHEMBL4779334 1 -
CHEMBL4757065 1 -
CHEMBL4782820 1 -
CHEMBL4747569 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4793869 IC50 = 177.0 nM 6.75
CHEMBL4745360 IC50 = 230.0 nM 6.64
CHEMBL4755837 IC50 = 268.0 nM 6.57
CHEMBL4777582 IC50 = 279.0 nM 6.55
CHEMBL4754311 IC50 = 285.0 nM 6.54
CHEMBL4742685 IC50 = 334.0 nM 6.48
CHEMBL4755996 IC50 = 333.0 nM 6.48
CHEMBL4740863 IC50 = 360.0 nM 6.44
CHEMBL4752256 IC50 = 384.0 nM 6.42
CHEMBL4796029 IC50 = 397.0 nM 6.40
CHEMBL4764389 IC50 = 420.0 nM 6.38
CHEMBL4753971 IC50 = 598.0 nM 6.22
CHEMBL4763602 IC50 = 657.0 nM 6.18
CHEMBL4791741 IC50 = 1054.0 nM 5.98
CHEMBL4787646 IC50 = 1713.0 nM 5.77
CHEMBL4778505 IC50 = 4633.0 nM 5.33
CHEMBL4793636 IC50 = 5192.0 nM 5.29
CHEMBL4798414 IC50 = 5224.0 nM 5.28
CHEMBL4781762 IC50 = 6492.0 nM 5.19
CHEMBL4797385 IC50 = 8524.0 nM 5.07
CHEMBL4779334 IC50 > 10000.0 nM -
CHEMBL4757065 IC50 > 10000.0 nM -
CHEMBL4782820 IC50 > 10000.0 nM -
CHEMBL4747569 IC50 > 10000.0 nM -