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Assay Detail

CHEMBL879195

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Binding
Inhibition of human alpha-thrombin.
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

Prothrombin (CHEMBL204)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Potent thrombin inhibitors that probe the S1 subsite: tripeptide transition state analogues based on a heterocycle-activated carbonyl group.
Costanzo MJ, Maryanoff BE, Hecker LR, Schott MR, Yabut SC, Zhang HC, Andrade-Gordon P, Kauffman JA, Lewis JM, Krishnan R, Tulinsky A.
J Med Chem (1996) 39 : 3039 -3043
PubMed 8759623 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 14 7.50 9.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL270437 1 9.72
CHEMBL102121 1 8.47
CHEMBL322205 1 8.44
CHEMBL105584 1 8.42
CHEMBL256381 1 8.09
CHEMBL273196 EFEGATRAN 2.0 1 8.00
CHEMBL1166 ARGATROBAN 4.0 1 8.00
CHEMBL101855 1 7.92
CHEMBL102919 1 7.82
CHEMBL272931 1 7.30
CHEMBL404728 1 7.07
CHEMBL256591 1 5.62
CHEMBL319615 1 5.28
CHEMBL322444 1 4.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL270437 Ki = 0.19 nM 9.72
CHEMBL102121 Ki = 3.4 nM 8.47
CHEMBL322205 Ki = 3.6 nM 8.44
CHEMBL105584 Ki = 3.8 nM 8.42
CHEMBL256381 Ki = 8.1 nM 8.09
CHEMBL273196 EFEGATRAN Ki = 10.0 nM 8.00
CHEMBL1166 ARGATROBAN Ki = 10.0 nM 8.00
CHEMBL101855 Ki = 12.0 nM 7.92
CHEMBL102919 Ki = 15.0 nM 7.82
CHEMBL272931 Ki = 50.0 nM 7.30
CHEMBL404728 Ki = 85.0 nM 7.07
CHEMBL256591 Ki = 2400.0 nM 5.62
CHEMBL319615 Ki = 5300.0 nM 5.28
CHEMBL322444 Ki = 16000.0 nM 4.80