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Assay Detail

CHEMBL3097587

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

Binding
Inhibition of thrombin (unknown origin)
7
Total Activities
7
Compounds Tested
2
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

5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
Meneyrol J, Follmann M, Lassalle G, Wehner V, Barre G, Rousseaux T, Altenburger JM, Petit F, Bocskei Z, Schreuder H, Alet N, Herault JP, Millet L, Dol F, Florian P, Schaeffer P, Sadoun F, Klieber S, Briot C, Bono F, Herbert JM.
J Med Chem (2013) 56 : 9441 -9456
PubMed 24175584 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 7.95 8.40
Ki 3 7.93 8.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL256941 1 8.40
CHEMBL48361 DABIGATRAN 3.0 1 8.35
CHEMBL431577 1 8.10
CHEMBL3091516 1 7.70
CHEMBL1270156 TANOGITRAN 2.0 1 7.58
CHEMBL3091517 1 7.51
CHEMBL198362 RIVAROXABAN 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL256941 IC50 = 4.0 nM 8.40
CHEMBL48361 DABIGATRAN Ki = 4.5 nM 8.35
CHEMBL431577 IC50 = 8.0 nM 8.10
CHEMBL3091516 IC50 = 20.0 nM 7.70
CHEMBL1270156 TANOGITRAN IC50 = 26.0 nM 7.58
CHEMBL3091517 Ki = 31.0 nM 7.51
CHEMBL198362 RIVAROXABAN Ki > 1000.0 nM -