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Assay Detail

CHEMBL838818

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Binding
Binding affinity determined against human alpha thrombin
ChEMBL ↗
64
Total Activities
62
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
Ki 64 7.83 9.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL176000 — — 1 9.92
CHEMBL176031 — — 1 9.85
CHEMBL427125 — — 1 9.82
CHEMBL368937 — — 1 9.74
CHEMBL270437 — — 1 9.70
CHEMBL366902 — — 1 9.70
CHEMBL176660 — — 1 9.64
CHEMBL361822 — — 1 9.47
CHEMBL368894 — — 1 9.44
CHEMBL369008 — — 1 9.43
CHEMBL368960 — — 1 9.34
CHEMBL361377 — — 1 9.24
CHEMBL361379 — — 1 9.11
CHEMBL366688 — — 1 9.00
CHEMBL179210 — — 1 8.96
CHEMBL367890 — — 1 8.89
CHEMBL257898 — — 1 8.85
CHEMBL401737 — — 1 8.82
CHEMBL366625 — — 1 8.80
CHEMBL176491 — — 1 8.70
CHEMBL360071 — — 1 8.68
CHEMBL322205 — — 1 8.68
CHEMBL366882 — — 1 8.51
CHEMBL175620 — — 1 8.47
CHEMBL360751 — — 1 8.42
CHEMBL175738 — — 1 8.35
CHEMBL175735 — — 1 8.21
CHEMBL368900 — — 1 8.09
CHEMBL177769 — — 1 8.04
CHEMBL414655 — — 1 8.02

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL176000 — Ki = 0.12 nM 9.92
CHEMBL176031 — Ki = 0.14 nM 9.85
CHEMBL427125 — Ki = 0.15 nM 9.82
CHEMBL368937 — Ki = 0.18 nM 9.74
CHEMBL270437 — Ki = 0.2 nM 9.70
CHEMBL366902 — Ki = 0.2 nM 9.70
CHEMBL176660 — Ki = 0.23 nM 9.64
CHEMBL361822 — Ki = 0.34 nM 9.47
CHEMBL368894 — Ki = 0.36 nM 9.44
CHEMBL369008 — Ki = 0.37 nM 9.43
CHEMBL368960 — Ki = 0.46 nM 9.34
CHEMBL361377 — Ki = 0.58 nM 9.24
CHEMBL361379 — Ki = 0.78 nM 9.11
CHEMBL366688 — Ki = 0.99 nM 9.00
CHEMBL179210 — Ki = 1.1 nM 8.96
CHEMBL367890 — Ki = 1.3 nM 8.89
CHEMBL257898 — Ki = 1.4 nM 8.85
CHEMBL401737 — Ki = 1.5 nM 8.82
CHEMBL366625 — Ki = 1.6 nM 8.80
CHEMBL176491 — Ki = 2.0 nM 8.70
CHEMBL360071 — Ki = 2.1 nM 8.68
CHEMBL322205 — Ki = 2.1 nM 8.68
CHEMBL366882 — Ki = 3.1 nM 8.51
CHEMBL175620 — Ki = 3.4 nM 8.47
CHEMBL360751 — Ki = 3.8 nM 8.42
CHEMBL175738 — Ki = 4.5 nM 8.35
CHEMBL175735 — Ki = 6.2 nM 8.21
CHEMBL368900 — Ki = 8.1 nM 8.09
CHEMBL177769 — Ki = 9.1 nM 8.04
CHEMBL414655 — Ki = 9.6 nM 8.02
CHEMBL1166 ARGATROBAN Ki = 9.9 nM 8.00
CHEMBL366653 — Ki = 13.0 nM 7.89
CHEMBL367647 — Ki = 15.0 nM 7.82
CHEMBL179735 — Ki = 15.0 nM 7.82
CHEMBL176348 — Ki = 16.0 nM 7.80
CHEMBL175464 — Ki = 17.0 nM 7.77
CHEMBL273196 EFEGATRAN Ki = 18.0 nM 7.75
CHEMBL273196 EFEGATRAN Ki = 18.0 nM 7.75
CHEMBL176063 — Ki = 21.0 nM 7.68
CHEMBL435514 — Ki = 24.0 nM 7.62
CHEMBL369868 — Ki = 38.0 nM 7.42
CHEMBL367973 — Ki = 53.0 nM 7.28
CHEMBL179961 — Ki = 73.0 nM 7.14
CHEMBL404728 — Ki = 85.0 nM 7.07
CHEMBL2096761 — Ki = 99.0 nM 7.00
CHEMBL175612 — Ki = 110.0 nM 6.96
CHEMBL179081 — Ki = 120.0 nM 6.92
CHEMBL272931 — Ki = 200.0 nM 6.70
CHEMBL176161 — Ki = 210.0 nM 6.68
CHEMBL425855 — Ki = 380.0 nM 6.42