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Assay Detail

CHEMBL813672

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

Binding
In vitro inhibitory activity against human thrombin(IIa)
23
Total Activities
23
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

Discovery of a novel, selective, and orally bioavailable class of thrombin inhibitors incorporating aminopyridyl moieties at the P1 position.
Feng DM, Gardell SJ, Lewis SD, Bock MG, Chen Z, Freidinger RM, Naylor-Olsen AM, Ramjit HG, Woltmann R, Baskin EP, Lynch JJ, Lucas R, Shafer JA, Dancheck KB, Chen IW, Mao SS, Krueger JA, Hare TR, Mulichak AM, Vacca JP.
J Med Chem (1997) 40 : 3726 -3733
PubMed 9371237 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 23 7.43 9.09

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL421437 1 9.09
CHEMBL123142 1 8.66
CHEMBL121982 1 8.52
CHEMBL122331 1 8.52
CHEMBL337923 1 8.44
CHEMBL123942 1 8.41
CHEMBL125181 1 8.30
CHEMBL122488 1 8.12
CHEMBL122801 1 8.05
CHEMBL122601 1 8.00
CHEMBL338788 1 7.96
CHEMBL96486 1 7.92
CHEMBL331181 1 7.16
CHEMBL123759 1 6.96
CHEMBL331179 1 6.89
CHEMBL122432 1 6.46
CHEMBL420334 1 6.46
CHEMBL435012 1 6.44
CHEMBL124408 1 6.42
CHEMBL331908 1 6.29
CHEMBL421272 1 6.25
CHEMBL121661 1 6.05
CHEMBL331160 1 5.43

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL421437 Ki = 0.82 nM 9.09
CHEMBL123142 Ki = 2.2 nM 8.66
CHEMBL121982 Ki = 3.0 nM 8.52
CHEMBL122331 Ki = 3.0 nM 8.52
CHEMBL337923 Ki = 3.6 nM 8.44
CHEMBL123942 Ki = 3.9 nM 8.41
CHEMBL125181 Ki = 5.0 nM 8.30
CHEMBL122488 Ki = 7.6 nM 8.12
CHEMBL122801 Ki = 9.0 nM 8.05
CHEMBL122601 Ki = 10.0 nM 8.00
CHEMBL338788 Ki = 11.0 nM 7.96
CHEMBL96486 Ki = 12.0 nM 7.92
CHEMBL331181 Ki = 70.0 nM 7.16
CHEMBL123759 Ki = 110.0 nM 6.96
CHEMBL331179 Ki = 130.0 nM 6.89
CHEMBL122432 Ki = 350.0 nM 6.46
CHEMBL420334 Ki = 350.0 nM 6.46
CHEMBL435012 Ki = 360.0 nM 6.44
CHEMBL124408 Ki = 380.0 nM 6.42
CHEMBL331908 Ki = 510.0 nM 6.29
CHEMBL421272 Ki = 560.0 nM 6.25
CHEMBL121661 Ki = 900.0 nM 6.05
CHEMBL331160 Ki = 3700.0 nM 5.43