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Assay Detail

CHEMBL2175120

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

Binding
Inhibition of human recombinant cathepsin-B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay
26
Total Activities
26
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

Cathepsin B (CHEMBL4072)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors.
Crawford JJ, Kenny PW, Bowyer J, Cook CR, Finlayson JE, Heyes C, Highton AJ, Hudson JA, Jestel A, Krapp S, Martin S, Macfaul PA, McDermott BP, McGuire TM, Morley AD, Morris JJ, Page KM, Ribeiro LR, Sawney H, Steinbacher S, Smith C, Dossetter AG.
J Med Chem (2012) 55 : 8827 -8837
PubMed 22984809 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 5.85 6.50

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2171984 1 6.50
CHEMBL2171986 1 6.40
CHEMBL2164676 1 6.34
CHEMBL2172006 1 6.33
CHEMBL2171985 1 6.24
CHEMBL2169908 1 6.22
CHEMBL2172004 1 6.19
CHEMBL2172007 1 6.19
CHEMBL2172000 1 6.12
CHEMBL2171999 1 6.01
CHEMBL2171995 1 6.01
CHEMBL2070936 1 5.96
CHEMBL2172003 1 5.94
CHEMBL2171990 1 5.93
CHEMBL2171988 1 5.90
CHEMBL2171992 1 5.84
CHEMBL2171991 1 5.84
CHEMBL2172002 1 5.77
CHEMBL2172005 1 5.73
CHEMBL2171994 1 5.62
CHEMBL2172001 1 5.53
CHEMBL2171993 1 5.51
CHEMBL2171996 1 5.46
CHEMBL2172126 1 5.46
CHEMBL2171997 1 4.60
CHEMBL2171998 1 4.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2171984 IC50 = 315.0 nM 6.50
CHEMBL2171986 IC50 = 399.0 nM 6.40
CHEMBL2164676 IC50 = 455.0 nM 6.34
CHEMBL2172006 IC50 = 462.0 nM 6.33
CHEMBL2171985 IC50 = 572.0 nM 6.24
CHEMBL2169908 IC50 = 603.0 nM 6.22
CHEMBL2172004 IC50 = 645.0 nM 6.19
CHEMBL2172007 IC50 = 649.0 nM 6.19
CHEMBL2172000 IC50 = 766.0 nM 6.12
CHEMBL2171999 IC50 = 971.0 nM 6.01
CHEMBL2171995 IC50 = 977.0 nM 6.01
CHEMBL2070936 IC50 = 1090.0 nM 5.96
CHEMBL2172003 IC50 = 1140.0 nM 5.94
CHEMBL2171990 IC50 = 1180.0 nM 5.93
CHEMBL2171988 IC50 = 1270.0 nM 5.90
CHEMBL2171992 IC50 = 1440.0 nM 5.84
CHEMBL2171991 IC50 = 1440.0 nM 5.84
CHEMBL2172002 IC50 = 1690.0 nM 5.77
CHEMBL2172005 IC50 = 1850.0 nM 5.73
CHEMBL2171994 IC50 = 2400.0 nM 5.62
CHEMBL2172001 IC50 = 2940.0 nM 5.53
CHEMBL2171993 IC50 = 3060.0 nM 5.51
CHEMBL2171996 IC50 = 3430.0 nM 5.46
CHEMBL2172126 IC50 = 3510.0 nM 5.46
CHEMBL2171997 IC50 = 24900.0 nM 4.60
CHEMBL2171998 IC50 = 40000.0 nM 4.40