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Assay Detail

CHEMBL4122265

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

Binding
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Boc-QRR-AMC as substrate after 15 mins by manual fluorescence assay
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Serine protease hepsin (CHEMBL2079849)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design, Synthesis, and Testing of Potent, Selective Hepsin Inhibitors via Application of an Automated Closed-Loop Optimization Platform.
Pant SM, Mukonoweshuro A, Desai B, Ramjee MK, Selway CN, Tarver GJ, Wright AG, Birchall K, Chapman TM, Tervonen TA, Klefström J.
J Med Chem (2018) 61 : 4335 -4347
PubMed 29701962 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 6.71 7.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4129836 1 7.66
CHEMBL4130135 1 7.42
CHEMBL4128554 1 6.72
CHEMBL4127165 1 6.66
CHEMBL4128355 1 6.60
CHEMBL4128356 1 6.48
CHEMBL4127452 1 6.07
CHEMBL4128512 1 6.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4129836 IC50 = 22.0 nM 7.66
CHEMBL4130135 IC50 = 38.0 nM 7.42
CHEMBL4128554 IC50 = 190.0 nM 6.72
CHEMBL4127165 IC50 = 220.0 nM 6.66
CHEMBL4128355 IC50 = 250.0 nM 6.60
CHEMBL4128356 IC50 = 330.0 nM 6.48
CHEMBL4127452 IC50 = 850.0 nM 6.07
CHEMBL4128512 IC50 = 870.0 nM 6.06