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Assay Detail

CHEMBL812836

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

Binding
Binding affinity was evaluated on serine protease thrombin.
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Prothrombin (CHEMBL204)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position.
Tucker TJ, Brady SF, Lumma WC, Lewis SD, Gardell SJ, Naylor-Olsen AM, Yan Y, Sisko JT, Stauffer KJ, Lucas BJ, Lynch JJ, Cook JJ, Stranieri MT, Holahan MA, Lyle EA, Baskin EP, Chen IW, Dancheck KB, Krueger JA, Cooper CM, Vacca JP.
J Med Chem (1998) 41 : 3210 -3219
PubMed 9703466 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 11 8.60 9.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL441468 1 9.51
CHEMBL327115 1 9.35
CHEMBL108717 1 9.30
CHEMBL108202 1 9.21
CHEMBL42039 1 9.13
CHEMBL320080 1 8.60
CHEMBL108183 1 8.52
CHEMBL42495 1 8.30
CHEMBL322321 1 7.75
CHEMBL108771 1 7.70
CHEMBL111051 1 7.22

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL441468 Ki = 0.31 nM 9.51
CHEMBL327115 Ki = 0.45 nM 9.35
CHEMBL108717 Ki = 0.5 nM 9.30
CHEMBL108202 Ki = 0.61 nM 9.21
CHEMBL42039 Ki = 0.74 nM 9.13
CHEMBL320080 Ki = 2.5 nM 8.60
CHEMBL108183 Ki = 3.0 nM 8.52
CHEMBL42495 Ki = 5.0 nM 8.30
CHEMBL322321 Ki = 18.0 nM 7.75
CHEMBL108771 Ki = 20.0 nM 7.70
CHEMBL111051 Ki = 60.0 nM 7.22