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Assay Detail

CHEMBL5225647

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

Binding
Inhibition of His-tagged human recombinant ME3 (26 to 604 residues) using L-malate and beta-NADP+ as substrate preincubated with enzyme for 5 mins followed by beta-NADP+ challenge and incubated under shaking for 5 mins followed by incubation for 3 hrs without shaking by resorufin dye based fluorescence analysis
34
Total Activities
34
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

NADP-dependent malic enzyme, mitochondrial (CHEMBL6182)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

In the Quest for Potent and Selective Malic Enzyme 3 Inhibitors for the Treatment of Pancreatic Ductal Adenocarcinoma.
Sheth G, Shah SR, Sengupta P, Jarag T, Chimanwala S, Sairam KVVM, Jain V, Talwar R, Dhanave A, Raviya M, Menon S, Trivedi S, Chitturi TR.
ACS Med Chem Lett (2023) 14 : 41 -50
PubMed 36655126 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 6.58 7.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5284610 1 7.22
CHEMBL5285899 1 7.16
CHEMBL5275653 1 7.10
CHEMBL5287773 1 7.05
CHEMBL5284469 1 7.00
CHEMBL5289840 1 7.00
CHEMBL5289950 1 6.96
CHEMBL5278951 1 6.96
CHEMBL5277536 1 6.92
CHEMBL5288731 1 6.89
CHEMBL5279230 1 6.89
CHEMBL5279096 1 6.89
CHEMBL5273550 1 6.85
CHEMBL372408 1 6.82
CHEMBL5267542 1 6.82
CHEMBL5279589 1 6.80
CHEMBL5278596 1 6.70
CHEMBL5281297 1 6.64
CHEMBL5286488 1 6.62
CHEMBL5290463 1 6.60
CHEMBL5274945 1 6.51
CHEMBL5283020 1 6.48
CHEMBL5286064 1 6.44
CHEMBL5291081 1 6.41
CHEMBL5282439 1 6.39
CHEMBL5270965 1 6.33
CHEMBL5281258 1 6.24
CHEMBL5218866 1 6.05
CHEMBL5283717 1 5.29
CHEMBL5277143 1 5.25

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5284610 IC50 = 60.0 nM 7.22
CHEMBL5285899 IC50 = 70.0 nM 7.16
CHEMBL5275653 IC50 = 80.0 nM 7.10
CHEMBL5287773 IC50 = 90.0 nM 7.05
CHEMBL5284469 IC50 = 100.0 nM 7.00
CHEMBL5289840 IC50 = 100.0 nM 7.00
CHEMBL5289950 IC50 = 110.0 nM 6.96
CHEMBL5278951 IC50 = 110.0 nM 6.96
CHEMBL5277536 IC50 = 120.0 nM 6.92
CHEMBL5288731 IC50 = 130.0 nM 6.89
CHEMBL5279230 IC50 = 130.0 nM 6.89
CHEMBL5279096 IC50 = 130.0 nM 6.89
CHEMBL5273550 IC50 = 140.0 nM 6.85
CHEMBL372408 IC50 = 150.0 nM 6.82
CHEMBL5267542 IC50 = 150.0 nM 6.82
CHEMBL5279589 IC50 = 160.0 nM 6.80
CHEMBL5278596 IC50 = 200.0 nM 6.70
CHEMBL5281297 IC50 = 230.0 nM 6.64
CHEMBL5286488 IC50 = 240.0 nM 6.62
CHEMBL5290463 IC50 = 250.0 nM 6.60
CHEMBL5274945 IC50 = 310.0 nM 6.51
CHEMBL5283020 IC50 = 330.0 nM 6.48
CHEMBL5286064 IC50 = 360.0 nM 6.44
CHEMBL5291081 IC50 = 390.0 nM 6.41
CHEMBL5282439 IC50 = 410.0 nM 6.39
CHEMBL5270965 IC50 = 470.0 nM 6.33
CHEMBL5281258 IC50 = 580.0 nM 6.24
CHEMBL5218866 IC50 = 900.0 nM 6.05
CHEMBL5283717 IC50 = 5100.0 nM 5.29
CHEMBL5277143 IC50 = 5600.0 nM 5.25
CHEMBL5267207 IC50 = 21000.0 nM 4.68
CHEMBL5268726 IC50 - -
CHEMBL5284509 IC50 - -
CHEMBL5274665 IC50 - -