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Assay Detail

CHEMBL813433

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Binding
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition
17
Total Activities
17
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

Dibasic benzo[b]thiophene derivatives as a novel class of active site directed thrombin inhibitors: 2. Sidechain optimization and demonstration of in vivo efficacy.
Zhang M, Bailey DL, Bastian JA, Briggs SL, Chirgadze NY, Clawson DK, Denney ML, Gifford-Moore DS, Harper RW, Johnson LM, Klimkowski VJ, Kohn TJ, Lin HS, McCowan JR, Richett ME, Sall DJ, Smith AJ, Smith GF, Snyder DW, Takeuchi K, Utterback BG, Yan SC.
Bioorg Med Chem Lett (1999) 9 : 775 -780
PubMed 10201846 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 17 8.68 9.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL168171 1 9.52
CHEMBL350351 1 9.40
CHEMBL159133 1 9.30
CHEMBL167741 1 9.30
CHEMBL434671 1 9.05
CHEMBL18778 1 9.05
CHEMBL19511 1 8.72
CHEMBL275206 1 8.68
CHEMBL350373 1 8.64
CHEMBL352279 1 8.42
CHEMBL18495 1 8.39
CHEMBL19242 1 8.29
CHEMBL164246 1 8.29
CHEMBL273196 EFEGATRAN 2.0 1 8.26
CHEMBL351476 1 8.15
CHEMBL418004 1 8.14
CHEMBL18516 1 7.96

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL168171 Ki = 0.3 nM 9.52
CHEMBL350351 Ki = 0.4 nM 9.40
CHEMBL159133 Ki = 0.5 nM 9.30
CHEMBL167741 Ki = 0.5 nM 9.30
CHEMBL434671 Ki = 0.9 nM 9.05
CHEMBL18778 Ki = 0.9 nM 9.05
CHEMBL19511 Ki = 1.9 nM 8.72
CHEMBL275206 Ki = 2.1 nM 8.68
CHEMBL350373 Ki = 2.3 nM 8.64
CHEMBL352279 Ki = 3.8 nM 8.42
CHEMBL18495 Ki = 4.1 nM 8.39
CHEMBL19242 Ki = 5.1 nM 8.29
CHEMBL164246 Ki = 5.1 nM 8.29
CHEMBL273196 EFEGATRAN Ki = 5.5 nM 8.26
CHEMBL351476 Ki = 7.0 nM 8.15
CHEMBL418004 Ki = 7.2 nM 8.14
CHEMBL18516 Ki = 11.0 nM 7.96