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Assay Detail

CHEMBL4477152

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Binding
Inhibition of N-terminal HIS-tagged and TEV cleavage site containing full length PHGDH (unknown origin) expressed in Escherichia coli assessed as reduction in conversion of 3-Phosphoglycerate and NAD to 3-Phosphohydroxypyruvate and NADH using 500 uM NAD and 500 uM 3-PG incubated for 240 mins by fluorescence based assay
57
Total Activities
57
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

D-3-phosphoglycerate dehydrogenase (CHEMBL2311243)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Tosylacetate based compounds and derivatives thereof as phgdh inhibitors
(2018)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 57 7.07 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4515492 1 8.40
CHEMBL4520837 1 8.40
CHEMBL4527607 1 8.30
CHEMBL4542437 1 8.22
CHEMBL4548014 1 8.15
CHEMBL4483622 1 8.15
CHEMBL4536020 1 8.10
CHEMBL4587306 1 8.05
CHEMBL4560976 1 8.05
CHEMBL4436264 1 8.05
CHEMBL4536556 1 8.00
CHEMBL4585012 1 7.96
CHEMBL4513843 1 7.85
CHEMBL4592933 1 7.82
CHEMBL4547034 1 7.80
CHEMBL4517873 1 7.77
CHEMBL4547905 1 7.75
CHEMBL4582792 1 7.70
CHEMBL4591375 1 7.68
CHEMBL4572184 1 7.66
CHEMBL4587964 1 7.55
CHEMBL4551822 1 7.54
CHEMBL4577108 1 7.50
CHEMBL4521930 1 7.06
CHEMBL4568292 1 7.02
CHEMBL4516261 1 7.02
CHEMBL4564291 1 6.97
CHEMBL4575857 1 6.92
CHEMBL4537896 1 6.92
CHEMBL4483039 1 6.86

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4515492 IC50 = 4.0 nM 8.40
CHEMBL4520837 IC50 = 4.0 nM 8.40
CHEMBL4527607 IC50 = 5.0 nM 8.30
CHEMBL4542437 IC50 = 6.0 nM 8.22
CHEMBL4548014 IC50 = 7.0 nM 8.15
CHEMBL4483622 IC50 = 7.0 nM 8.15
CHEMBL4536020 IC50 = 8.0 nM 8.10
CHEMBL4587306 IC50 = 9.0 nM 8.05
CHEMBL4560976 IC50 = 9.0 nM 8.05
CHEMBL4436264 IC50 = 9.0 nM 8.05
CHEMBL4536556 IC50 = 10.0 nM 8.00
CHEMBL4585012 IC50 = 11.0 nM 7.96
CHEMBL4513843 IC50 = 14.0 nM 7.85
CHEMBL4592933 IC50 = 15.0 nM 7.82
CHEMBL4547034 IC50 = 16.0 nM 7.80
CHEMBL4517873 IC50 = 17.0 nM 7.77
CHEMBL4547905 IC50 = 18.0 nM 7.75
CHEMBL4582792 IC50 = 20.0 nM 7.70
CHEMBL4591375 IC50 = 21.0 nM 7.68
CHEMBL4572184 IC50 = 22.0 nM 7.66
CHEMBL4587964 IC50 = 28.0 nM 7.55
CHEMBL4551822 IC50 = 29.0 nM 7.54
CHEMBL4577108 IC50 = 32.0 nM 7.50
CHEMBL4521930 IC50 = 87.0 nM 7.06
CHEMBL4516261 IC50 = 95.0 nM 7.02
CHEMBL4568292 IC50 = 95.0 nM 7.02
CHEMBL4564291 IC50 = 107.0 nM 6.97
CHEMBL4575857 IC50 = 119.0 nM 6.92
CHEMBL4537896 IC50 = 119.0 nM 6.92
CHEMBL4483039 IC50 = 137.0 nM 6.86
CHEMBL4549808 IC50 = 146.0 nM 6.84
CHEMBL4592921 IC50 = 156.0 nM 6.81
CHEMBL4566179 IC50 = 168.0 nM 6.78
CHEMBL4555768 IC50 = 191.0 nM 6.72
CHEMBL4520575 IC50 = 190.0 nM 6.72
CHEMBL4536159 IC50 = 196.0 nM 6.71
CHEMBL4571344 IC50 = 211.0 nM 6.68
CHEMBL4558818 IC50 = 246.0 nM 6.61
CHEMBL4587097 IC50 = 255.0 nM 6.59
CHEMBL4518579 IC50 = 258.0 nM 6.59
CHEMBL4521064 IC50 = 292.0 nM 6.54
CHEMBL4556952 IC50 = 291.0 nM 6.54
CHEMBL4572088 IC50 = 305.0 nM 6.52
CHEMBL4552569 IC50 = 299.0 nM 6.52
CHEMBL4515646 IC50 = 419.0 nM 6.38
CHEMBL4591884 IC50 = 436.0 nM 6.36
CHEMBL4560176 IC50 = 509.0 nM 6.29
CHEMBL4522256 IC50 = 525.0 nM 6.28
CHEMBL4567743 IC50 = 578.0 nM 6.24
CHEMBL4532917 IC50 = 690.0 nM 6.16