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Assay Detail

CHEMBL4844448

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

Binding
Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis
32
Total Activities
28
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 32 6.93 9.06

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5189739 BEROTRALSTAT 4.0 3 9.06
CHEMBL4847070 3 8.92
CHEMBL4847782 1 8.28
CHEMBL4868429 1 8.19
CHEMBL4872758 1 8.14
CHEMBL4867028 1 8.00
CHEMBL4846073 1 7.98
CHEMBL4854896 1 7.43
CHEMBL4852994 1 7.42
CHEMBL4868583 1 7.00
CHEMBL4874867 1 6.87
CHEMBL4861549 1 6.83
CHEMBL4851909 1 6.64
CHEMBL4868267 1 6.40
CHEMBL4848851 1 6.40
CHEMBL4875350 1 6.24
CHEMBL4862937 1 6.19
CHEMBL4850202 1 6.15
CHEMBL4854785 1 6.15
CHEMBL4854127 1 6.00
CHEMBL4845951 1 5.99
CHEMBL4867482 1 5.91
CHEMBL4848716 1 5.54
CHEMBL4876796 1 4.81
CHEMBL4849589 1 4.65
CHEMBL4850991 1 4.56
CHEMBL1622853 1 -
CHEMBL4873539 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5189739 BEROTRALSTAT IC50 = 0.88 nM 9.06
CHEMBL4847070 IC50 = 1.2 nM 8.92
CHEMBL5189739 BEROTRALSTAT IC50 = 1.8 nM 8.74
CHEMBL4847782 IC50 = 5.2 nM 8.28
CHEMBL4868429 IC50 = 6.4 nM 8.19
CHEMBL4872758 IC50 = 7.2 nM 8.14
CHEMBL4847070 IC50 = 9.0 nM 8.05
CHEMBL4867028 IC50 = 10.0 nM 8.00
CHEMBL4846073 IC50 = 10.4 nM 7.98
CHEMBL5189739 BEROTRALSTAT IC50 = 13.9 nM 7.86
CHEMBL4847070 IC50 = 24.0 nM 7.62
CHEMBL4854896 IC50 = 37.0 nM 7.43
CHEMBL4852994 IC50 = 37.6 nM 7.42
CHEMBL4868583 IC50 = 100.0 nM 7.00
CHEMBL4874867 IC50 = 134.0 nM 6.87
CHEMBL4861549 IC50 = 149.0 nM 6.83
CHEMBL4851909 IC50 = 231.0 nM 6.64
CHEMBL4848851 IC50 = 395.0 nM 6.40
CHEMBL4868267 IC50 = 395.0 nM 6.40
CHEMBL4875350 IC50 = 577.0 nM 6.24
CHEMBL4862937 IC50 = 651.0 nM 6.19
CHEMBL4850202 IC50 = 710.0 nM 6.15
CHEMBL4854785 IC50 = 708.0 nM 6.15
CHEMBL4854127 IC50 = 1000.0 nM 6.00
CHEMBL4845951 IC50 = 1020.0 nM 5.99
CHEMBL4867482 IC50 = 1229.0 nM 5.91
CHEMBL4848716 IC50 = 2900.0 nM 5.54
CHEMBL4876796 IC50 = 15400.0 nM 4.81
CHEMBL4849589 IC50 = 22600.0 nM 4.65
CHEMBL4850991 IC50 = 27300.0 nM 4.56
CHEMBL4873539 IC50 = 1000000.0 nM -
CHEMBL1622853 IC50 = 3400000.0 nM -