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Assay Detail

CHEMBL3419500

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

Binding
Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assay
23
Total Activities
23
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

Design, synthesis and structural exploration of novel fluorinated dabigatran derivatives as direct thrombin inhibitors.
Li ML, Ren YJ, Dong MH, Ren WX.
Eur J Med Chem (2015) 96 : 122 -138
PubMed 25874337 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 8.15 8.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL48361 DABIGATRAN 3.0 1 8.58
CHEMBL3415214 1 8.49
CHEMBL3415215 1 8.47
CHEMBL3415062 1 8.46
CHEMBL3415209 1 8.43
CHEMBL3415059 1 8.34
CHEMBL3415211 1 8.31
CHEMBL3415058 1 8.31
CHEMBL3415057 1 8.31
CHEMBL3414580 1 8.31
CHEMBL3415061 1 8.27
CHEMBL3415064 1 8.25
CHEMBL3415055 1 8.23
CHEMBL3415056 1 8.21
CHEMBL3415065 1 8.14
CHEMBL3415210 1 8.08
CHEMBL1166 ARGATROBAN 4.0 1 8.02
CHEMBL3415213 1 7.87
CHEMBL3415060 1 7.79
CHEMBL3415216 1 7.72
CHEMBL3415066 1 7.67
CHEMBL3415212 1 7.63
CHEMBL3415063 1 7.62

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL48361 DABIGATRAN IC50 = 2.61 nM 8.58
CHEMBL3415214 IC50 = 3.23 nM 8.49
CHEMBL3415215 IC50 = 3.39 nM 8.47
CHEMBL3415062 IC50 = 3.49 nM 8.46
CHEMBL3415209 IC50 = 3.71 nM 8.43
CHEMBL3415059 IC50 = 4.54 nM 8.34
CHEMBL3415211 IC50 = 4.92 nM 8.31
CHEMBL3415058 IC50 = 4.84 nM 8.31
CHEMBL3415057 IC50 = 4.93 nM 8.31
CHEMBL3414580 IC50 = 4.9 nM 8.31
CHEMBL3415061 IC50 = 5.43 nM 8.27
CHEMBL3415064 IC50 = 5.63 nM 8.25
CHEMBL3415055 IC50 = 5.86 nM 8.23
CHEMBL3415056 IC50 = 6.13 nM 8.21
CHEMBL3415065 IC50 = 7.26 nM 8.14
CHEMBL3415210 IC50 = 8.4 nM 8.08
CHEMBL1166 ARGATROBAN IC50 = 9.46 nM 8.02
CHEMBL3415213 IC50 = 13.61 nM 7.87
CHEMBL3415060 IC50 = 16.32 nM 7.79
CHEMBL3415216 IC50 = 19.16 nM 7.72
CHEMBL3415066 IC50 = 21.55 nM 7.67
CHEMBL3415212 IC50 = 23.3 nM 7.63
CHEMBL3415063 IC50 = 23.96 nM 7.62