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Assay Detail

CHEMBL4387563

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

Binding
Inhibition of 6x-His-tagged and SUMO tagged human PYCR1 expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in NADH oxidation incubated for 1 hr
61
Total Activities
61
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

Pyrroline-5-carboxylate reductase 1, mitochondrial (CHEMBL4296002)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

A fragment-like approach to PYCR1 inhibition.
Milne K, Sun J, Zaal EA, Mowat J, Celie PHN, Fish A, Berkers CR, Forlani G, Loayza-Puch F, Jamieson C, Agami R.
Bioorg Med Chem Lett (2019) 29 : 2626 -2631
PubMed 31362921 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 61 4.14 5.06

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4442920 1 5.06
CHEMBL4452615 1 5.04
CHEMBL4462797 1 5.01
CHEMBL4554584 1 4.89
CHEMBL4440917 1 4.87
CHEMBL4470037 1 4.80
CHEMBL4578387 1 4.68
CHEMBL4442170 1 4.68
CHEMBL4538363 1 4.47
CHEMBL4449993 1 4.42
CHEMBL4471360 1 4.42
CHEMBL4441578 1 4.40
CHEMBL4441742 1 4.38
CHEMBL4566601 1 4.37
CHEMBL4545182 1 4.37
CHEMBL4518799 1 4.28
CHEMBL4521734 1 4.26
CHEMBL4524807 1 4.24
CHEMBL4471016 1 4.19
CHEMBL4589637 1 4.18
CHEMBL4531369 1 4.15
CHEMBL4450640 1 4.04
CHEMBL4582299 1 4.00
CHEMBL4540573 1 4.00
CHEMBL4572130 1 3.86
CHEMBL4460666 1 3.85
CHEMBL4551995 1 3.79
CHEMBL4441214 1 3.73
CHEMBL4582778 1 3.70
CHEMBL673 PARGYLINE 4.0 1 3.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4442920 IC50 = 8800.0 nM 5.06
CHEMBL4452615 IC50 = 9200.0 nM 5.04
CHEMBL4462797 IC50 = 9700.0 nM 5.01
CHEMBL4554584 IC50 = 13000.0 nM 4.89
CHEMBL4440917 IC50 = 13600.0 nM 4.87
CHEMBL4470037 IC50 = 16000.0 nM 4.80
CHEMBL4578387 IC50 = 21000.0 nM 4.68
CHEMBL4442170 IC50 = 21000.0 nM 4.68
CHEMBL4538363 IC50 = 34000.0 nM 4.47
CHEMBL4449993 IC50 = 38000.0 nM 4.42
CHEMBL4471360 IC50 = 38000.0 nM 4.42
CHEMBL4441578 IC50 = 40000.0 nM 4.40
CHEMBL4441742 IC50 = 42000.0 nM 4.38
CHEMBL4545182 IC50 = 43000.0 nM 4.37
CHEMBL4566601 IC50 = 43000.0 nM 4.37
CHEMBL4518799 IC50 = 52000.0 nM 4.28
CHEMBL4521734 IC50 = 55000.0 nM 4.26
CHEMBL4524807 IC50 = 58000.0 nM 4.24
CHEMBL4471016 IC50 = 65000.0 nM 4.19
CHEMBL4589637 IC50 = 66000.0 nM 4.18
CHEMBL4531369 IC50 = 71000.0 nM 4.15
CHEMBL4450640 IC50 = 92000.0 nM 4.04
CHEMBL4582299 IC50 = 100000.0 nM 4.00
CHEMBL4540573 IC50 = 99000.0 nM 4.00
CHEMBL4572130 IC50 = 139000.0 nM 3.86
CHEMBL4460666 IC50 = 142000.0 nM 3.85
CHEMBL4551995 IC50 = 161000.0 nM 3.79
CHEMBL4441214 IC50 = 184000.0 nM 3.73
CHEMBL4582778 IC50 = 200000.0 nM 3.70
CHEMBL673 PARGYLINE IC50 = 198000.0 nM 3.70
CHEMBL4560325 IC50 = 211000.0 nM 3.68
CHEMBL4451218 IC50 = 228000.0 nM 3.64
CHEMBL4529176 IC50 = 276000.0 nM 3.56
CHEMBL4529927 IC50 = 311000.0 nM 3.51
CHEMBL4562371 IC50 = 316000.0 nM 3.50
CHEMBL4525457 IC50 = 315000.0 nM 3.50
CHEMBL4465015 IC50 = 337000.0 nM 3.47
CHEMBL4471459 IC50 = 394000.0 nM 3.40
CHEMBL4544449 IC50 = 394000.0 nM 3.40
CHEMBL4592190 IC50 > 500000.0 nM -
CHEMBL4545345 IC50 > 500000.0 nM -
CHEMBL4542486 IC50 > 500000.0 nM -
CHEMBL4529610 IC50 > 500000.0 nM -
CHEMBL4475507 IC50 > 500000.0 nM -
CHEMBL4539315 IC50 > 500000.0 nM -
CHEMBL1182795 IC50 > 500000.0 nM -
CHEMBL4568453 IC50 > 500000.0 nM -
CHEMBL4547121 IC50 > 500000.0 nM -
CHEMBL4444403 IC50 > 500000.0 nM -
CHEMBL4567902 IC50 > 500000.0 nM -