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Assay Detail

CHEMBL879102

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

Binding
Inhibitory activity against human thrombin (using Chromozym TH as the substrate)
ChEMBL ↗
117
Total Activities
117
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

Protease inhibitors: synthesis and QSAR study of novel classes of nonbasic thrombin inhibitors incorporating sulfonylguanidine and O-methylsulfonylisourea moieties at P1.
Supuran CT, Scozzafava A, Briganti F, Clare BW.
J Med Chem (2000) 43 : 1793 -1806
PubMed 10794696 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 117 6.91 8.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL51173 — — 1 8.19
CHEMBL299624 — — 1 8.00
CHEMBL301811 — — 1 8.00
CHEMBL52917 — — 1 7.96
CHEMBL298925 — — 1 7.92
CHEMBL53576 — — 1 7.89
CHEMBL298127 — — 1 7.82
CHEMBL299617 — — 1 7.82
CHEMBL53802 — — 1 7.82
CHEMBL298661 — — 1 7.82
CHEMBL300666 — — 1 7.80
CHEMBL51616 — — 1 7.75
CHEMBL50191 — — 1 7.75
CHEMBL1166 ARGATROBAN 4.0 1 7.72
CHEMBL50689 — — 1 7.72
CHEMBL298913 — — 1 7.68
CHEMBL50296 — — 1 7.68
CHEMBL50681 — — 1 7.57
CHEMBL296176 — — 1 7.37
CHEMBL51635 — — 1 7.37
CHEMBL50590 — — 1 7.36
CHEMBL300298 — — 1 7.32
CHEMBL300630 — — 1 7.30
CHEMBL296177 — — 1 7.27
CHEMBL53464 — — 1 7.22
CHEMBL432704 — — 1 7.21
CHEMBL295709 — — 1 7.20
CHEMBL432326 — — 1 7.06
CHEMBL300873 — — 1 7.04
CHEMBL50155 — — 1 7.02

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL51173 — Ki = 6.5 nM 8.19
CHEMBL301811 — Ki = 10.0 nM 8.00
CHEMBL299624 — Ki = 10.0 nM 8.00
CHEMBL52917 — Ki = 11.0 nM 7.96
CHEMBL298925 — Ki = 12.0 nM 7.92
CHEMBL53576 — Ki = 13.0 nM 7.89
CHEMBL298661 — Ki = 15.0 nM 7.82
CHEMBL53802 — Ki = 15.0 nM 7.82
CHEMBL299617 — Ki = 15.0 nM 7.82
CHEMBL298127 — Ki = 15.0 nM 7.82
CHEMBL300666 — Ki = 16.0 nM 7.80
CHEMBL51616 — Ki = 18.0 nM 7.75
CHEMBL50191 — Ki = 18.0 nM 7.75
CHEMBL50689 — Ki = 19.0 nM 7.72
CHEMBL1166 ARGATROBAN Ki = 19.0 nM 7.72
CHEMBL50296 — Ki = 21.0 nM 7.68
CHEMBL298913 — Ki = 21.0 nM 7.68
CHEMBL50681 — Ki = 27.0 nM 7.57
CHEMBL51635 — Ki = 43.0 nM 7.37
CHEMBL296176 — Ki = 43.0 nM 7.37
CHEMBL50590 — Ki = 44.0 nM 7.36
CHEMBL300298 — Ki = 48.0 nM 7.32
CHEMBL300630 — Ki = 50.0 nM 7.30
CHEMBL296177 — Ki = 54.0 nM 7.27
CHEMBL53464 — Ki = 60.0 nM 7.22
CHEMBL432704 — Ki = 62.0 nM 7.21
CHEMBL295709 — Ki = 63.0 nM 7.20
CHEMBL432326 — Ki = 88.0 nM 7.06
CHEMBL300873 — Ki = 91.0 nM 7.04
CHEMBL338802 SULFAGUANIDINE Ki = 95.0 nM 7.02
CHEMBL50155 — Ki = 96.0 nM 7.02
CHEMBL300708 — Ki = 98.0 nM 7.01
CHEMBL51458 — Ki = 97.0 nM 7.01
CHEMBL51177 — Ki = 99.0 nM 7.00
CHEMBL51102 — Ki = 103.0 nM 6.99
CHEMBL53358 — Ki = 104.0 nM 6.98
CHEMBL52803 — Ki = 107.0 nM 6.97
CHEMBL51181 — Ki = 106.0 nM 6.97
CHEMBL51674 — Ki = 112.0 nM 6.95
CHEMBL51166 — Ki = 121.0 nM 6.92
CHEMBL300407 — Ki = 120.0 nM 6.92
CHEMBL54250 — Ki = 123.0 nM 6.91
CHEMBL51392 — Ki = 125.0 nM 6.90
CHEMBL50467 — Ki = 130.0 nM 6.89
CHEMBL301987 — Ki = 129.0 nM 6.89
CHEMBL53960 — Ki = 132.0 nM 6.88
CHEMBL52275 — Ki = 133.0 nM 6.88
CHEMBL298996 — Ki = 134.0 nM 6.87
CHEMBL52846 — Ki = 136.0 nM 6.87
CHEMBL50751 — Ki = 138.0 nM 6.86