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Assay Detail

CHEMBL818537

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

Binding
In vitro inhibition of bovine alpha chymotrypsin.
20
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Chymotrypsinogen B (CHEMBL3063)
Type SINGLE PROTEIN
Organism Bos taurus

Publication

N-[2,2-dimethyl-3-(N-(4-cyanobenzoyl)amino)nonanoyl]-L-phenylalanine ethyl ester as a stable ester-type inhibitor of chymotrypsin-like serine proteases: structural requirements for potent inhibition of alpha-chymotrypsin.
Iijima K, Katada J, Yasuda E, Uno I, Hayashi Y.
J Med Chem (1999) 42 : 312 -323
PubMed 9925737 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 6.19 8.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL108294 3 8.80
CHEMBL108540 1 8.68
CHEMBL111705 1 7.07
CHEMBL320132 1 6.64
CHEMBL445116 1 6.60
CHEMBL109236 1 6.00
CHEMBL110995 1 5.96
CHEMBL108931 1 5.82
CHEMBL320750 1 5.66
CHEMBL109291 1 5.47
CHEMBL320510 1 5.38
CHEMBL108343 1 5.16
CHEMBL111745 1 5.07
CHEMBL323480 1 4.92
CHEMBL432621 1 4.77
CHEMBL109601 1 4.57
CHEMBL320712 1 4.14
CHEMBL323355 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL108294 IC50 = 1.6 nM 8.80
CHEMBL108540 IC50 = 2.1 nM 8.68
CHEMBL108294 IC50 = 2.6 nM 8.59
CHEMBL108294 IC50 = 5.1 nM 8.29
CHEMBL111705 IC50 = 86.0 nM 7.07
CHEMBL320132 IC50 = 230.0 nM 6.64
CHEMBL445116 IC50 = 250.0 nM 6.60
CHEMBL109236 IC50 = 1000.0 nM 6.00
CHEMBL110995 IC50 = 1100.0 nM 5.96
CHEMBL108931 IC50 = 1500.0 nM 5.82
CHEMBL320750 IC50 = 2200.0 nM 5.66
CHEMBL109291 IC50 = 3400.0 nM 5.47
CHEMBL320510 IC50 = 4200.0 nM 5.38
CHEMBL108343 IC50 = 7000.0 nM 5.16
CHEMBL111745 IC50 = 8600.0 nM 5.07
CHEMBL323480 IC50 = 12000.0 nM 4.92
CHEMBL432621 IC50 = 17000.0 nM 4.77
CHEMBL109601 IC50 = 27000.0 nM 4.57
CHEMBL320712 IC50 = 73000.0 nM 4.14
CHEMBL323355 IC50 = 230000.0 nM -