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Assay Detail

CHEMBL5355127

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

Binding
Inhibition of bovine trypsin using S-2765 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Bos taurus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery of novel N-acylpyrazoles as potent and selective thrombin inhibitors.
Short KM, Estiarte MA, Pham SM, Williams DC, Igoudin L, Dash S, Sandoval N, Datta A, Pozzi N, Di Cera E, Kita DB.
Eur J Med Chem (2023) 246 : 114855 -114855
PubMed 36462436 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 5.14 7.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL266349 MELAGATRAN 4.0 1 7.30
CHEMBL5413299 1 6.66
CHEMBL5424963 1 6.55
CHEMBL48361 DABIGATRAN 3.0 1 5.91
CHEMBL5427665 1 5.29
CHEMBL5423783 1 5.08
CHEMBL5425457 1 4.88
CHEMBL5397540 1 4.83
CHEMBL5429063 1 4.76
CHEMBL5435750 1 4.59
CHEMBL5425205 1 4.48
CHEMBL1575426 1 4.30
CHEMBL502016 1 4.23
CHEMBL5430930 1 4.12
CHEMBL5438252 1 4.06
CHEMBL5431421 1 -
CHEMBL5418447 1 -
CHEMBL5430493 1 -
CHEMBL5429800 1 -
CHEMBL1535020 1 -
CHEMBL5440166 1 -
CHEMBL5409763 1 -
CHEMBL5418843 1 -
CHEMBL1444918 1 -
CHEMBL1560937 1 -
CHEMBL5424957 1 -
CHEMBL5426834 1 -
CHEMBL5408843 1 -
CHEMBL5432782 1 -
CHEMBL5402933 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL266349 MELAGATRAN IC50 = 50.0 nM 7.30
CHEMBL5413299 IC50 = 218.0 nM 6.66
CHEMBL5424963 IC50 = 280.0 nM 6.55
CHEMBL48361 DABIGATRAN IC50 = 1230.0 nM 5.91
CHEMBL5427665 IC50 = 5180.0 nM 5.29
CHEMBL5423783 IC50 = 8300.0 nM 5.08
CHEMBL5425457 IC50 = 13200.0 nM 4.88
CHEMBL5397540 IC50 = 14700.0 nM 4.83
CHEMBL5429063 IC50 = 17500.0 nM 4.76
CHEMBL5435750 IC50 = 25700.0 nM 4.59
CHEMBL5425205 IC50 = 33000.0 nM 4.48
CHEMBL1575426 IC50 = 50000.0 nM 4.30
CHEMBL502016 IC50 = 59000.0 nM 4.23
CHEMBL5430930 IC50 = 76000.0 nM 4.12
CHEMBL5438252 IC50 = 87700.0 nM 4.06
CHEMBL5424153 IC50 - -
CHEMBL5422724 IC50 > 100000.0 nM -
CHEMBL5395641 IC50 > 100000.0 nM -
CHEMBL1373768 IC50 > 100000.0 nM -
CHEMBL5420677 IC50 > 100000.0 nM -
CHEMBL5418604 IC50 > 100000.0 nM -
CHEMBL198362 RIVAROXABAN IC50 > 100000.0 nM -
CHEMBL5431421 IC50 > 10000.0 nM -
CHEMBL5418447 IC50 > 10000.0 nM -
CHEMBL5430493 IC50 > 100000.0 nM -
CHEMBL5429800 IC50 > 100000.0 nM -
CHEMBL1535020 IC50 > 100000.0 nM -
CHEMBL5440166 IC50 > 100000.0 nM -
CHEMBL5409763 IC50 > 100000.0 nM -
CHEMBL5418843 IC50 > 100000.0 nM -
CHEMBL1444918 IC50 > 100000.0 nM -
CHEMBL1560937 IC50 > 100000.0 nM -
CHEMBL5424957 IC50 > 100000.0 nM -
CHEMBL5426834 IC50 > 100000.0 nM -
CHEMBL5408843 IC50 - -
CHEMBL5432782 IC50 > 100000.0 nM -
CHEMBL5402933 IC50 > 100000.0 nM -