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Assay Detail

CHEMBL832832

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Binding
Inhibitory concentration against human alpha thrombin
ChEMBL ↗
68
Total Activities
67
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

In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.
Costanzo MJ, Almond HR, Hecker LR, Schott MR, Yabut SC, Zhang HC, Andrade-Gordon P, Corcoran TW, Giardino EC, Kauffman JA, Lewis JM, de Garavilla L, Haertlein BJ, Maryanoff BE.
J Med Chem (2005) 48 : 1984 -2008
PubMed 15771442 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 68 6.60 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL176660 — — 1 8.52
CHEMBL366902 — — 1 8.46
CHEMBL176385 — — 1 8.35
CHEMBL176031 — — 1 8.30
CHEMBL179245 — — 1 8.30
CHEMBL363003 — — 1 8.28
CHEMBL369008 — — 1 8.15
CHEMBL427125 — — 1 8.12
CHEMBL179210 — — 1 7.96
CHEMBL360071 — — 1 7.82
CHEMBL176000 — — 1 7.82
CHEMBL322205 — — 1 7.72
CHEMBL179910 — — 1 7.68
CHEMBL270437 — — 1 7.54
CHEMBL368894 — — 1 7.54
CHEMBL368960 — — 1 7.47
CHEMBL367890 — — 1 7.42
CHEMBL361822 — — 1 7.42
CHEMBL176491 — — 1 7.35
CHEMBL368937 — — 1 7.32
CHEMBL366625 — — 1 7.29
CHEMBL257898 — — 1 7.25
CHEMBL361377 — — 1 7.22
CHEMBL175464 — — 1 7.10
CHEMBL175620 — — 1 7.10
CHEMBL273196 EFEGATRAN 2.0 1 7.07
CHEMBL401737 — — 1 7.02
CHEMBL366882 — — 1 7.02
CHEMBL367647 — — 1 6.97
CHEMBL361379 — — 1 6.96

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL176660 — IC50 = 3.0 nM 8.52
CHEMBL366902 — IC50 = 3.5 nM 8.46
CHEMBL176385 — IC50 = 4.5 nM 8.35
CHEMBL176031 — IC50 = 5.0 nM 8.30
CHEMBL179245 — IC50 = 5.0 nM 8.30
CHEMBL363003 — IC50 = 5.3 nM 8.28
CHEMBL369008 — IC50 = 7.0 nM 8.15
CHEMBL427125 — IC50 = 7.5 nM 8.12
CHEMBL179210 — IC50 = 11.0 nM 7.96
CHEMBL360071 — IC50 = 15.0 nM 7.82
CHEMBL176000 — IC50 = 15.0 nM 7.82
CHEMBL322205 — IC50 = 19.0 nM 7.72
CHEMBL179910 — IC50 = 21.0 nM 7.68
CHEMBL368894 — IC50 = 29.0 nM 7.54
CHEMBL270437 — IC50 = 29.0 nM 7.54
CHEMBL368960 — IC50 = 34.0 nM 7.47
CHEMBL367890 — IC50 = 38.0 nM 7.42
CHEMBL361822 — IC50 = 38.0 nM 7.42
CHEMBL176491 — IC50 = 45.0 nM 7.35
CHEMBL368937 — IC50 = 48.0 nM 7.32
CHEMBL366625 — IC50 = 51.0 nM 7.29
CHEMBL257898 — IC50 = 56.0 nM 7.25
CHEMBL361377 — IC50 = 60.0 nM 7.22
CHEMBL175464 — IC50 = 80.0 nM 7.10
CHEMBL175620 — IC50 = 80.0 nM 7.10
CHEMBL273196 EFEGATRAN IC50 = 85.0 nM 7.07
CHEMBL366882 — IC50 = 95.0 nM 7.02
CHEMBL401737 — IC50 = 95.0 nM 7.02
CHEMBL367647 — IC50 = 106.0 nM 6.97
CHEMBL175735 — IC50 = 110.0 nM 6.96
CHEMBL368900 — IC50 = 110.0 nM 6.96
CHEMBL361379 — IC50 = 110.0 nM 6.96
CHEMBL177769 — IC50 = 112.0 nM 6.95
CHEMBL175738 — IC50 = 120.0 nM 6.92
CHEMBL360751 — IC50 = 150.0 nM 6.82
CHEMBL176348 — IC50 = 270.0 nM 6.57
CHEMBL414655 — IC50 = 360.0 nM 6.44
CHEMBL179735 — IC50 = 370.0 nM 6.43
CHEMBL366653 — IC50 = 430.0 nM 6.37
CHEMBL176063 — IC50 = 440.0 nM 6.36
CHEMBL367973 — IC50 = 460.0 nM 6.34
CHEMBL179961 — IC50 = 490.0 nM 6.31
CHEMBL435514 — IC50 = 500.0 nM 6.30
CHEMBL369868 — IC50 = 650.0 nM 6.19
CHEMBL179081 — IC50 = 830.0 nM 6.08
CHEMBL404728 — IC50 = 930.0 nM 6.03
CHEMBL2096761 — IC50 = 1000.0 nM 6.00
CHEMBL272931 — IC50 = 1500.0 nM 5.82
CHEMBL175612 — IC50 = 1900.0 nM 5.72
CHEMBL367237 — IC50 = 3700.0 nM 5.43