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Assay Detail

CHEMBL4811564

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Binding
Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery
ChEMBL ↗
38
Total Activities
38
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

Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Huddle BC, Grimley E, Chtcherbinine M, Buchman CD, Takahashi C, Debnath B, McGonigal SC, Mao S, Li S, Felton J, Pan S, Wen B, Sun D, Neamati N, Buckanovich RJ, Hurley TD, Larsen SD.
Eur J Med Chem (2021) 211 : 113060 -113060
PubMed 33341649 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.47 7.17
Inhibition 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4849586 — — 1 7.17
CHEMBL4876602 — — 1 7.16
CHEMBL4210115 — — 1 7.10
CHEMBL4213331 — — 1 7.10
CHEMBL4861872 — — 1 7.03
CHEMBL4849624 — — 1 7.03
CHEMBL4859904 — — 1 7.00
CHEMBL4847114 — — 1 6.96
CHEMBL4846203 — — 1 6.93
CHEMBL4848831 — — 1 6.89
CHEMBL4848258 — — 1 6.89
CHEMBL4855442 — — 1 6.86
CHEMBL4862833 — — 1 6.82
CHEMBL4876076 — — 1 6.82
CHEMBL4860590 — — 1 6.69
CHEMBL4873315 — — 1 6.62
CHEMBL4875157 — — 1 6.62
CHEMBL4848961 — — 1 6.57
CHEMBL4874045 — — 1 6.45
CHEMBL4867380 — — 1 6.44
CHEMBL4863668 — — 1 6.42
CHEMBL4857604 — — 1 6.35
CHEMBL4874309 — — 1 6.35
CHEMBL4846491 — — 1 6.35
CHEMBL4874335 — — 1 6.24
CHEMBL4866017 — — 1 6.22
CHEMBL4854222 — — 1 6.14
CHEMBL4855579 — — 1 6.11
CHEMBL4868666 — — 1 6.10
CHEMBL4865571 — — 1 6.03

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4849586 — IC50 = 68.0 nM 7.17
CHEMBL4876602 — IC50 = 70.0 nM 7.16
CHEMBL4213331 — IC50 = 80.0 nM 7.10
CHEMBL4210115 — IC50 = 80.0 nM 7.10
CHEMBL4861872 — IC50 = 93.0 nM 7.03
CHEMBL4849624 — IC50 = 94.0 nM 7.03
CHEMBL4859904 — IC50 = 100.0 nM 7.00
CHEMBL4847114 — IC50 = 109.0 nM 6.96
CHEMBL4846203 — IC50 = 118.0 nM 6.93
CHEMBL4848831 — IC50 = 130.0 nM 6.89
CHEMBL4848258 — IC50 = 130.0 nM 6.89
CHEMBL4855442 — IC50 = 139.0 nM 6.86
CHEMBL4862833 — IC50 = 151.0 nM 6.82
CHEMBL4876076 — IC50 = 150.0 nM 6.82
CHEMBL4860590 — IC50 = 206.0 nM 6.69
CHEMBL4873315 — IC50 = 240.0 nM 6.62
CHEMBL4875157 — IC50 = 242.0 nM 6.62
CHEMBL4848961 — IC50 = 270.0 nM 6.57
CHEMBL4874045 — IC50 = 352.0 nM 6.45
CHEMBL4867380 — IC50 = 360.0 nM 6.44
CHEMBL4863668 — IC50 = 380.0 nM 6.42
CHEMBL4857604 — IC50 = 451.0 nM 6.35
CHEMBL4874309 — IC50 = 445.0 nM 6.35
CHEMBL4846491 — IC50 = 451.0 nM 6.35
CHEMBL4874335 — IC50 = 570.0 nM 6.24
CHEMBL4866017 — IC50 = 600.0 nM 6.22
CHEMBL4854222 — IC50 = 720.0 nM 6.14
CHEMBL4855579 — IC50 = 775.0 nM 6.11
CHEMBL4868666 — IC50 = 800.0 nM 6.10
CHEMBL4865571 — IC50 = 930.0 nM 6.03
CHEMBL4878944 — IC50 = 1000.0 nM 6.00
CHEMBL4873090 — IC50 = 1000.0 nM 6.00
CHEMBL4849706 — IC50 = 1410.0 nM 5.85
CHEMBL4862831 — IC50 = 1900.0 nM 5.72
CHEMBL4857551 — IC50 = 2200.0 nM 5.66
CHEMBL4859854 — IC50 = 2400.0 nM 5.62
CHEMBL4846960 — IC50 = 8200.0 nM 5.09
CHEMBL4877915 — Inhibition - % -