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Assay Detail

CHEMBL814934

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

Binding
Inhibition of thrombin-catalyzed hydrolysis of a standard substrate
19
Total Activities
19
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

Discovery and development of the novel potent orally active thrombin inhibitor N-(9-hydroxy-9-fluorenecarboxy)prolyl trans-4-aminocyclohexylmethyl amide (L-372,460): coapplication of structure-based design and rapid multiple analogue synthesis on solid support.
Brady SF, Stauffer KJ, Lumma WC, Smith GM, Ramjit HG, Lewis SD, Lucas BJ, Gardell SJ, Lyle EA, Appleby SD, Cook JJ, Holahan MA, Stranieri MT, Lynch JJ, Lin JH, Chen IW, Vastag K, Naylor-Olsen AM, Vacca JP.
J Med Chem (1998) 41 : 401 -406
PubMed 9464370 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 7.28 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL130119 1 8.52
CHEMBL364255 1 8.40
CHEMBL334727 1 8.30
CHEMBL125181 1 8.22
CHEMBL434417 1 8.00
CHEMBL131999 1 7.96
CHEMBL334482 1 7.30
CHEMBL341171 1 7.24
CHEMBL338939 1 7.22
CHEMBL335906 1 7.05
CHEMBL420689 1 7.00
CHEMBL128724 1 6.97
CHEMBL130505 1 6.92
CHEMBL335225 1 6.85
CHEMBL422803 1 6.72
CHEMBL435393 1 6.64
CHEMBL435799 1 6.64
CHEMBL338321 1 6.42
CHEMBL339525 1 6.04

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL130119 IC50 = 3.0 nM 8.52
CHEMBL364255 IC50 = 4.0 nM 8.40
CHEMBL334727 IC50 = 5.0 nM 8.30
CHEMBL125181 IC50 = 6.0 nM 8.22
CHEMBL434417 IC50 = 10.0 nM 8.00
CHEMBL131999 IC50 = 11.0 nM 7.96
CHEMBL334482 IC50 = 50.0 nM 7.30
CHEMBL341171 IC50 = 57.0 nM 7.24
CHEMBL338939 IC50 = 60.0 nM 7.22
CHEMBL335906 IC50 = 90.0 nM 7.05
CHEMBL420689 IC50 = 100.0 nM 7.00
CHEMBL128724 IC50 = 106.0 nM 6.97
CHEMBL130505 IC50 = 120.0 nM 6.92
CHEMBL335225 IC50 = 140.0 nM 6.85
CHEMBL422803 IC50 = 190.0 nM 6.72
CHEMBL435393 IC50 = 230.0 nM 6.64
CHEMBL435799 IC50 = 230.0 nM 6.64
CHEMBL338321 IC50 = 380.0 nM 6.42
CHEMBL339525 IC50 = 910.0 nM 6.04