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Assay Detail

CHEMBL767697

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Binding
In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Sus scrofa
Confidence 4 — Cell-line / Tissue
Curated By Autocuration

Target

Pyruvate dehydrogenase kinase (CHEMBL2096665)
Type PROTEIN FAMILY
Organism Homo sapiens

Publication

(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionamides are orally active inhibitors of pyruvate dehydrogenase kinase.
Aicher TD, Anderson RC, Bebernitz GR, Coppola GM, Jewell CF, Knorr DC, Liu C, Sperbeck DM, Brand LJ, Strohschein RJ, Gao J, Vinluan CC, Shetty SS, Dragland C, Kaplan EL, DelGrande D, Islam A, Liu X, Lozito RJ, Maniara WM, Walter RE, Mann WR.
J Med Chem (1999) 42 : 2741 -2746
PubMed 10425084 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 6.31 7.78

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL316388 1 7.78
CHEMBL84231 1 7.68
CHEMBL421689 1 7.26
CHEMBL93805 1 7.11
CHEMBL304292 1 7.10
CHEMBL82385 1 7.09
CHEMBL310927 1 7.05
CHEMBL94231 1 6.96
CHEMBL433391 1 6.92
CHEMBL93045 1 6.52
CHEMBL327693 1 5.82
CHEMBL329794 1 5.21
CHEMBL83151 1 5.17
CHEMBL92700 1 5.03
CHEMBL18861 ZD-6169 1 5.03
CHEMBL90360 1 5.01
CHEMBL92640 1 4.46
CHEMBL328892 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL316388 IC50 = 16.5 nM 7.78
CHEMBL84231 IC50 = 21.0 nM 7.68
CHEMBL421689 IC50 = 55.0 nM 7.26
CHEMBL93805 IC50 = 77.0 nM 7.11
CHEMBL304292 IC50 = 79.0 nM 7.10
CHEMBL82385 IC50 = 82.0 nM 7.09
CHEMBL310927 IC50 = 90.0 nM 7.05
CHEMBL94231 IC50 = 110.0 nM 6.96
CHEMBL433391 IC50 = 120.0 nM 6.92
CHEMBL93045 IC50 = 300.0 nM 6.52
CHEMBL327693 IC50 = 1500.0 nM 5.82
CHEMBL329794 IC50 = 6200.0 nM 5.21
CHEMBL83151 IC50 = 6700.0 nM 5.17
CHEMBL92700 IC50 = 9300.0 nM 5.03
CHEMBL18861 ZD-6169 IC50 = 9300.0 nM 5.03
CHEMBL90360 IC50 = 9800.0 nM 5.01
CHEMBL92640 IC50 = 35000.0 nM 4.46
CHEMBL328892 IC50 = 200000.0 nM -