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Assay Detail

CHEMBL813561

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Binding
Inhibitory activity against thrombin.
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Prothrombin (CHEMBL204)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Unique overlap in the prerequisites for thrombin inhibition and oral bioavailability resulting in potent oral antithrombotics.
Adang AE, de Man AP, Vogel GM, Grootenhuis PD, Smit MJ, Peters CA, Visser A, Rewinkel JB, van Dinther T, Lucas H, Kelder J, van Aelst S, Meuleman DG, van Boeckel CA.
J Med Chem (2002) 45 : 4419 -4432
PubMed 12238922 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 28 8.61 9.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL140078 1 9.85
CHEMBL343794 1 9.68
CHEMBL139051 1 9.54
CHEMBL337780 1 9.54
CHEMBL2370858 1 9.52
CHEMBL336229 1 9.48
CHEMBL341581 1 9.38
CHEMBL138267 1 9.30
CHEMBL139359 1 9.09
CHEMBL343804 1 9.08
CHEMBL342672 CYCLOTHEONAMIDE A 1 9.00
CHEMBL139242 1 8.96
CHEMBL139280 1 8.85
CHEMBL266349 MELAGATRAN 4.0 1 8.70
CHEMBL344916 1 8.70
CHEMBL137945 1 8.59
CHEMBL336048 1 8.46
CHEMBL446372 1 7.89
CHEMBL138986 1 7.82
CHEMBL1166 ARGATROBAN 4.0 1 7.72
CHEMBL141724 1 7.55
CHEMBL342850 1 6.84
CHEMBL342632 1 6.69
CHEMBL136164 1 6.42
CHEMBL139119 1 -
CHEMBL139247 1 -
CHEMBL334701 1 -
CHEMBL138664 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL140078 Ki = 0.14 nM 9.85
CHEMBL343794 Ki = 0.21 nM 9.68
CHEMBL139051 Ki = 0.29 nM 9.54
CHEMBL337780 Ki = 0.29 nM 9.54
CHEMBL2370858 Ki = 0.3 nM 9.52
CHEMBL336229 Ki = 0.33 nM 9.48
CHEMBL341581 Ki = 0.42 nM 9.38
CHEMBL138267 Ki = 0.5 nM 9.30
CHEMBL139359 Ki = 0.82 nM 9.09
CHEMBL343804 Ki = 0.84 nM 9.08
CHEMBL342672 CYCLOTHEONAMIDE A Ki = 1.0 nM 9.00
CHEMBL139242 Ki = 1.1 nM 8.96
CHEMBL139280 Ki = 1.4 nM 8.85
CHEMBL266349 MELAGATRAN Ki = 2.0 nM 8.70
CHEMBL344916 Ki = 2.0 nM 8.70
CHEMBL137945 Ki = 2.6 nM 8.59
CHEMBL336048 Ki = 3.5 nM 8.46
CHEMBL446372 Ki = 13.0 nM 7.89
CHEMBL138986 Ki = 15.0 nM 7.82
CHEMBL1166 ARGATROBAN Ki = 19.0 nM 7.72
CHEMBL141724 Ki = 28.0 nM 7.55
CHEMBL342850 Ki = 146.0 nM 6.84
CHEMBL342632 Ki = 204.0 nM 6.69
CHEMBL136164 Ki = 376.0 nM 6.42
CHEMBL139119 Ki > 1000.0 nM -
CHEMBL139247 Ki > 1000.0 nM -
CHEMBL334701 Ki > 1000.0 nM -
CHEMBL138664 Ki > 1000.0 nM -