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Assay Detail

CHEMBL4844450

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

Binding
Inhibition of endogenous human plasma kallikrein using Z-Phe-Arg-AMC.HCl as substrate measured after 5 mins by microplate reader analysis
16
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Plasma kallikrein (CHEMBL2000)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
Kotian PL, Wu M, Vadlakonda S, Chintareddy V, Lu P, Juarez L, Kellogg-Yelder D, Chen X, Muppa S, Chambers-Wilson R, Davis Parker C, Williams J, Polach KJ, Zhang W, Raman K, Babu YS.
J Med Chem (2021) 64 : 12453 -12468
PubMed 34436898 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 7.40 8.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5189739 BEROTRALSTAT 4.0 3 8.24
CHEMBL4847070 3 8.07
CHEMBL4867028 1 8.00
CHEMBL4847782 1 7.78
CHEMBL4872758 1 7.72
CHEMBL4846073 1 7.57
CHEMBL4868429 1 6.54
CHEMBL4852994 1 6.52
CHEMBL4874867 1 5.89
CHEMBL4854896 1 -
CHEMBL4868583 1 -
CHEMBL4854785 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5189739 BEROTRALSTAT IC50 = 5.8 nM 8.24
CHEMBL4847070 IC50 = 8.51 nM 8.07
CHEMBL4867028 IC50 = 10.0 nM 8.00
CHEMBL5189739 BEROTRALSTAT IC50 = 14.0 nM 7.85
CHEMBL4847782 IC50 = 16.7 nM 7.78
CHEMBL4847070 IC50 = 19.0 nM 7.72
CHEMBL4872758 IC50 = 19.0 nM 7.72
CHEMBL4846073 IC50 = 26.7 nM 7.57
CHEMBL5189739 BEROTRALSTAT IC50 = 48.1 nM 7.32
CHEMBL4847070 IC50 = 115.0 nM 6.94
CHEMBL4868429 IC50 = 287.0 nM 6.54
CHEMBL4852994 IC50 = 300.0 nM 6.52
CHEMBL4874867 IC50 = 1280.0 nM 5.89
CHEMBL4854896 IC50 > 1000.0 nM -
CHEMBL4868583 IC50 > 1000.0 nM -
CHEMBL4854785 IC50 > 1000.0 nM -