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Assay Detail

CHEMBL813571

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

Binding
Inhibition of human thrombin
42
Total Activities
42
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

Design and structure-activity relationships of potent and selective inhibitors of blood coagulation factor Xa.
Ewing WR, Becker MR, Manetta VE, Davis RS, Pauls HW, Mason H, Choi-Sledeski YM, Green D, Cha D, Spada AP, Cheney DL, Mason JS, Maignan S, Guilloteau JP, Brown K, Colussi D, Bentley R, Bostwick J, Kasiewski CJ, Morgan SR, Leadley RJ, Dunwiddie CT, Perrone MH, Chu V.
J Med Chem (1999) 42 : 3557 -3571
PubMed 10479288 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 42 5.91 6.44

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL119456 1 6.44
CHEMBL340336 1 6.36
CHEMBL117156 1 6.20
CHEMBL324569 1 6.06
CHEMBL419227 1 6.05
CHEMBL116378 1 6.01
CHEMBL119964 1 5.97
CHEMBL333678 1 5.96
CHEMBL118156 1 5.94
CHEMBL331955 1 5.92
CHEMBL118361 1 5.89
CHEMBL332619 1 5.87
CHEMBL327600 1 5.85
CHEMBL419049 1 5.84
CHEMBL331686 1 5.82
CHEMBL325529 1 5.82
CHEMBL118799 1 5.80
CHEMBL409260 1 5.72
CHEMBL333639 1 5.69
CHEMBL331939 1 5.62
CHEMBL119913 1 5.60
CHEMBL93681 1 5.58
CHEMBL436563 1 -
CHEMBL333891 1 -
CHEMBL119249 1 -
CHEMBL333548 1 -
CHEMBL326316 1 -
CHEMBL120749 1 -
CHEMBL118836 1 -
CHEMBL331648 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL119456 Ki = 360.0 nM 6.44
CHEMBL340336 Ki = 440.0 nM 6.36
CHEMBL117156 Ki = 630.0 nM 6.20
CHEMBL324569 Ki = 880.0 nM 6.06
CHEMBL419227 Ki = 900.0 nM 6.05
CHEMBL116378 Ki = 970.0 nM 6.01
CHEMBL119964 Ki = 1080.0 nM 5.97
CHEMBL333678 Ki = 1100.0 nM 5.96
CHEMBL118156 Ki = 1160.0 nM 5.94
CHEMBL331955 Ki = 1200.0 nM 5.92
CHEMBL118361 Ki = 1300.0 nM 5.89
CHEMBL332619 Ki = 1340.0 nM 5.87
CHEMBL327600 Ki = 1400.0 nM 5.85
CHEMBL419049 Ki = 1440.0 nM 5.84
CHEMBL325529 Ki = 1500.0 nM 5.82
CHEMBL331686 Ki = 1500.0 nM 5.82
CHEMBL118799 Ki = 1600.0 nM 5.80
CHEMBL409260 Ki = 1900.0 nM 5.72
CHEMBL333639 Ki = 2040.0 nM 5.69
CHEMBL331939 Ki = 2400.0 nM 5.62
CHEMBL119913 Ki = 2500.0 nM 5.60
CHEMBL93681 Ki = 2600.0 nM 5.58
CHEMBL118906 Ki > 4000.0 nM -
CHEMBL118334 Ki > 4000.0 nM -
CHEMBL120387 Ki > 4000.0 nM -
CHEMBL93796 Ki > 4000.0 nM -
CHEMBL121032 Ki > 4000.0 nM -
CHEMBL120341 Ki > 4000.0 nM -
CHEMBL333958 Ki > 4000.0 nM -
CHEMBL120765 Ki > 4000.0 nM -
CHEMBL332160 Ki > 4000.0 nM -
CHEMBL331896 Ki > 4000.0 nM -
CHEMBL436563 Ki > 4000.0 nM -
CHEMBL324337 Ki > 4000.0 nM -
CHEMBL326046 Ki > 4000.0 nM -
CHEMBL331648 Ki > 4000.0 nM -
CHEMBL118836 Ki > 4000.0 nM -
CHEMBL120749 Ki > 4000.0 nM -
CHEMBL326316 Ki > 4000.0 nM -
CHEMBL333548 Ki > 4000.0 nM -
CHEMBL119249 Ki > 4000.0 nM -
CHEMBL333891 Ki > 4000.0 nM -