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Assay Detail

CHEMBL4003407

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

Binding
Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured every 20s for 10 mins by fluorescence assay
12
Total Activities
12
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

Prothrombin (CHEMBL204)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Novel dabigatran derivatives with a fluorine atom at the C-2 position of the terminal benzene ring: Design, synthesis and anticoagulant activity evaluation.
Yang H, Liu Q, Gao X, Ren Y, Gao Y.
Eur J Med Chem (2017) 126 : 799 -809
PubMed 27951488 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 8.57 9.08

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4086267 1 9.08
CHEMBL4094030 1 8.93
CHEMBL48361 DABIGATRAN 3.0 1 8.92
CHEMBL4101764 1 8.85
CHEMBL4095408 1 8.81
CHEMBL4074973 1 8.65
CHEMBL4102667 1 8.49
CHEMBL3740791 1 8.48
CHEMBL4076284 1 8.47
CHEMBL4078405 1 8.43
CHEMBL4087711 1 7.89
CHEMBL4064792 1 7.84

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4086267 IC50 = 0.84 nM 9.08
CHEMBL4094030 IC50 = 1.18 nM 8.93
CHEMBL48361 DABIGATRAN IC50 = 1.2 nM 8.92
CHEMBL4101764 IC50 = 1.42 nM 8.85
CHEMBL4095408 IC50 = 1.54 nM 8.81
CHEMBL4074973 IC50 = 2.26 nM 8.65
CHEMBL4102667 IC50 = 3.2 nM 8.49
CHEMBL3740791 IC50 = 3.33 nM 8.48
CHEMBL4076284 IC50 = 3.35 nM 8.47
CHEMBL4078405 IC50 = 3.7 nM 8.43
CHEMBL4087711 IC50 = 12.77 nM 7.89
CHEMBL4064792 IC50 = 14.6 nM 7.84