Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL1003006

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

Binding
Inhibition of human alpha thrombin by surface plasmon resonance assay
ChEMBL ↗
73
Total Activities
37
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Compounds binding to the S2-S3 pockets of thrombin.
Nilsson M, Hämäläinen M, Ivarsson M, Gottfries J, Xue Y, Hansson S, Isaksson R, Fex T.
J Med Chem (2009) 52 : 2708 -2715
PubMed 19371038 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 5.25 8.10
Kd 36 4.94 6.57

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL266349 MELAGATRAN 4.0 1 8.10
CHEMBL492085 — — 2 6.57
CHEMBL522291 — — 2 5.96
CHEMBL491722 — — 2 5.66
CHEMBL490730 — — 2 5.51
CHEMBL490731 — — 2 5.17
CHEMBL490925 — — 2 5.05
CHEMBL521957 — — 2 4.64
CHEMBL522313 — — 2 4.57
CHEMBL491768 — — 2 4.47
CHEMBL491760 — — 2 4.46
CHEMBL523148 — — 2 4.42
CHEMBL489526 — — 2 4.35
CHEMBL490924 — — 2 4.31
CHEMBL523637 — — 2 4.00
CHEMBL522591 — — 2 -
CHEMBL523110 — — 2 -
CHEMBL450317 — — 2 -
CHEMBL523987 — — 2 -
CHEMBL491767 — — 2 -
CHEMBL490928 — — 2 -
CHEMBL492087 — — 2 -
CHEMBL450956 — — 2 -
CHEMBL490734 — — 2 -
CHEMBL490947 — — 2 -
CHEMBL523660 — — 2 -
CHEMBL491560 — — 2 -
CHEMBL491761 — — 2 -
CHEMBL522480 — — 2 -
CHEMBL492086 — — 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL266349 MELAGATRAN IC50 = 8.0 nM 8.10
CHEMBL492085 — Kd = 270.0 nM 6.57
CHEMBL522291 — Kd = 1100.0 nM 5.96
CHEMBL492085 — IC50 = 1600.0 nM 5.80
CHEMBL491722 — Kd = 2200.0 nM 5.66
CHEMBL490730 — Kd = 3100.0 nM 5.51
CHEMBL522291 — IC50 = 4200.0 nM 5.38
CHEMBL490731 — Kd = 6800.0 nM 5.17
CHEMBL490925 — Kd = 9000.0 nM 5.05
CHEMBL491722 — IC50 = 13000.0 nM 4.89
CHEMBL490730 — IC50 = 18000.0 nM 4.75
CHEMBL490925 — IC50 = 20000.0 nM 4.70
CHEMBL521957 — Kd = 23000.0 nM 4.64
CHEMBL522313 — Kd = 27000.0 nM 4.57
CHEMBL491768 — Kd = 34000.0 nM 4.47
CHEMBL491760 — Kd = 35000.0 nM 4.46
CHEMBL523148 — Kd = 38000.0 nM 4.42
CHEMBL489526 — Kd = 45000.0 nM 4.35
CHEMBL490924 — Kd = 49000.0 nM 4.31
CHEMBL521957 — IC50 = 49000.0 nM 4.31
CHEMBL490731 — IC50 = 89000.0 nM 4.05
CHEMBL523637 — Kd = 99000.0 nM 4.00
CHEMBL491560 — IC50 > 400000.0 nM -
CHEMBL523148 — IC50 = 230000.0 nM -
CHEMBL492086 — IC50 > 400000.0 nM -
CHEMBL522313 — IC50 = 120000.0 nM -
CHEMBL522480 — IC50 > 400000.0 nM -
CHEMBL490924 — IC50 = 230000.0 nM -
CHEMBL491760 — IC50 = 170000.0 nM -
CHEMBL491761 — IC50 > 400000.0 nM -
CHEMBL523660 — Kd > 1000000.0 nM -
CHEMBL490734 — Kd > 1000000.0 nM -
CHEMBL450956 — Kd = 620000.0 nM -
CHEMBL492087 — Kd = 700000.0 nM -
CHEMBL490928 — Kd > 1000000.0 nM -
CHEMBL491767 — Kd = 270000.0 nM -
CHEMBL489526 — IC50 = 210000.0 nM -
CHEMBL522591 — IC50 > 400000.0 nM -
CHEMBL444488 — IC50 > 400000.0 nM -
CHEMBL523660 — IC50 > 400000.0 nM -
CHEMBL492145 — IC50 > 400000.0 nM -
CHEMBL450317 — IC50 > 400000.0 nM -
CHEMBL523637 — IC50 = 380000.0 nM -
CHEMBL491296 — IC50 > 400000.0 nM -
CHEMBL523799 — IC50 > 400000.0 nM -
CHEMBL523110 — IC50 > 400000.0 nM -
CHEMBL490947 — IC50 > 400000.0 nM -
CHEMBL490948 — IC50 > 400000.0 nM -
CHEMBL491297 — IC50 > 400000.0 nM -
CHEMBL522792 — IC50 > 400000.0 nM -