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Assay Detail

CHEMBL4149710

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

Binding
Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2 mM substrate addition measured after 15 mins by RapidFire mass spectrometry based fluorescence assay
30
Total Activities
30
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

Tryptophan 2,3-dioxygenase (CHEMBL2140)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Aminoisoxazoles as Potent Inhibitors of Tryptophan 2,3-Dioxygenase 2 (TDO2).
Pei Z, Mendonca R, Gazzard L, Pastor R, Goon L, Gustafson A, VanderPorten E, Hatzivassiliou G, Dement K, Cass R, Yuen PW, Zhang Y, Wu G, Lin X, Liu Y, Sellers BD.
ACS Med Chem Lett (2018) 9 : 417 -421
PubMed 29795752 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 6.07 7.55

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4173485 1 7.55
CHEMBL4165554 1 7.54
CHEMBL4166415 1 6.85
CHEMBL4162962 1 6.72
CHEMBL4174655 1 6.57
CHEMBL4168975 1 6.54
CHEMBL4166624 1 6.47
CHEMBL4170344 1 6.30
CHEMBL4170773 1 6.24
CHEMBL4166941 1 6.19
CHEMBL4160126 1 6.08
CHEMBL4176841 1 5.80
CHEMBL4177244 1 5.80
CHEMBL4165043 1 5.77
CHEMBL4177147 1 5.64
CHEMBL4162432 1 5.51
CHEMBL4163495 1 5.36
CHEMBL4159044 1 5.11
CHEMBL4171214 1 4.75
CHEMBL2431088 1 4.60
CHEMBL4160459 1 -
CHEMBL4162109 1 -
CHEMBL4170040 1 -
CHEMBL1391894 1 -
CHEMBL4168565 1 -
CHEMBL4167857 1 -
CHEMBL4159938 1 -
CHEMBL4168362 1 -
CHEMBL4163311 1 -
CHEMBL4172771 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4173485 IC50 = 28.0 nM 7.55
CHEMBL4165554 IC50 = 29.0 nM 7.54
CHEMBL4166415 IC50 = 140.0 nM 6.85
CHEMBL4162962 IC50 = 190.0 nM 6.72
CHEMBL4174655 IC50 = 270.0 nM 6.57
CHEMBL4168975 IC50 = 290.0 nM 6.54
CHEMBL4166624 IC50 = 340.0 nM 6.47
CHEMBL4170344 IC50 = 500.0 nM 6.30
CHEMBL4170773 IC50 = 580.0 nM 6.24
CHEMBL4166941 IC50 = 640.0 nM 6.19
CHEMBL4160126 IC50 = 830.0 nM 6.08
CHEMBL4176841 IC50 = 1600.0 nM 5.80
CHEMBL4177244 IC50 = 1600.0 nM 5.80
CHEMBL4165043 IC50 = 1700.0 nM 5.77
CHEMBL4177147 IC50 = 2300.0 nM 5.64
CHEMBL4162432 IC50 = 3100.0 nM 5.51
CHEMBL4163495 IC50 = 4400.0 nM 5.36
CHEMBL4159044 IC50 = 7800.0 nM 5.11
CHEMBL4171214 IC50 = 18000.0 nM 4.75
CHEMBL2431088 IC50 = 25000.0 nM 4.60
CHEMBL4160459 IC50 > 25000.0 nM -
CHEMBL4162109 IC50 > 25000.0 nM -
CHEMBL4170040 IC50 > 25000.0 nM -
CHEMBL1391894 IC50 > 25000.0 nM -
CHEMBL4168565 IC50 > 25000.0 nM -
CHEMBL4167857 IC50 > 25000.0 nM -
CHEMBL4159938 IC50 > 25000.0 nM -
CHEMBL4168362 IC50 > 25000.0 nM -
CHEMBL4163311 IC50 > 25000.0 nM -
CHEMBL4172771 IC50 > 25000.0 nM -