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Assay Detail

CHEMBL4158215

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

Binding
Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
45
Total Activities
45
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

Collagenase 3 (CHEMBL280)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Development of matrix metalloproteinase-13 inhibitors - A structure-activity/structure-property relationship study.
Fuerst R, Yong Choi J, Knapinska AM, Smith L, Cameron MD, Ruiz C, Fields GB, Roush WR.
Bioorg Med Chem (2018) 26 : 4984 -4995
PubMed 30249495 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 45 7.62 8.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4164242 1 8.80
CHEMBL4172893 1 8.72
CHEMBL4169495 1 8.62
CHEMBL4172563 1 8.60
CHEMBL4172804 1 8.60
CHEMBL4080520 1 8.57
CHEMBL4170562 1 8.36
CHEMBL4088383 1 8.36
CHEMBL4159255 1 8.29
CHEMBL4173661 1 8.26
CHEMBL4175968 1 8.19
CHEMBL4159992 1 8.19
CHEMBL4165747 1 8.16
CHEMBL4177034 1 8.15
CHEMBL4176183 1 8.15
CHEMBL4165348 1 8.14
CHEMBL4172564 1 8.11
CHEMBL4164676 1 8.08
CHEMBL4164905 1 8.07
CHEMBL4161914 1 8.04
CHEMBL4168115 1 8.03
CHEMBL4168477 1 7.89
CHEMBL4169179 1 7.89
CHEMBL4169181 1 7.84
CHEMBL4161070 1 7.75
CHEMBL4167912 1 7.73
CHEMBL4162629 1 7.70
CHEMBL4175116 1 7.42
CHEMBL4168336 1 7.37
CHEMBL4160072 1 7.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4164242 IC50 = 1.6 nM 8.80
CHEMBL4172893 IC50 = 1.9 nM 8.72
CHEMBL4169495 IC50 = 2.4 nM 8.62
CHEMBL4172563 IC50 = 2.5 nM 8.60
CHEMBL4172804 IC50 = 2.5 nM 8.60
CHEMBL4080520 IC50 = 2.7 nM 8.57
CHEMBL4170562 IC50 = 4.4 nM 8.36
CHEMBL4088383 IC50 = 4.4 nM 8.36
CHEMBL4159255 IC50 = 5.1 nM 8.29
CHEMBL4173661 IC50 = 5.5 nM 8.26
CHEMBL4175968 IC50 = 6.4 nM 8.19
CHEMBL4159992 IC50 = 6.4 nM 8.19
CHEMBL4165747 IC50 = 6.9 nM 8.16
CHEMBL4177034 IC50 = 7.1 nM 8.15
CHEMBL4176183 IC50 = 7.1 nM 8.15
CHEMBL4165348 IC50 = 7.3 nM 8.14
CHEMBL4172564 IC50 = 7.8 nM 8.11
CHEMBL4164676 IC50 = 8.4 nM 8.08
CHEMBL4164905 IC50 = 8.5 nM 8.07
CHEMBL4161914 IC50 = 9.1 nM 8.04
CHEMBL4168115 IC50 = 9.4 nM 8.03
CHEMBL4169179 IC50 = 13.0 nM 7.89
CHEMBL4168477 IC50 = 12.9 nM 7.89
CHEMBL4169181 IC50 = 14.4 nM 7.84
CHEMBL4161070 IC50 = 18.0 nM 7.75
CHEMBL4167912 IC50 = 18.7 nM 7.73
CHEMBL4162629 IC50 = 20.0 nM 7.70
CHEMBL4175116 IC50 = 38.0 nM 7.42
CHEMBL4168336 IC50 = 43.2 nM 7.37
CHEMBL4160072 IC50 = 88.0 nM 7.06
CHEMBL4164482 IC50 = 148.0 nM 6.83
CHEMBL4162305 IC50 = 153.0 nM 6.82
CHEMBL4060150 IC50 = 159.0 nM 6.80
CHEMBL4098541 IC50 = 257.0 nM 6.59
CHEMBL4176358 IC50 = 274.0 nM 6.56
CHEMBL4162222 IC50 = 289.0 nM 6.54
CHEMBL4175967 IC50 = 697.0 nM 6.16
CHEMBL4171334 IC50 = 1200.0 nM 5.92
CHEMBL4167998 IC50 = 1300.0 nM 5.89
CHEMBL4165744 IC50 = 2000.0 nM 5.70
CHEMBL4172976 IC50 = 2600.0 nM 5.58
CHEMBL4161253 IC50 > 5000.0 nM -
CHEMBL4172116 IC50 > 5000.0 nM -
CHEMBL4167168 IC50 > 5000.0 nM -
CHEMBL4171677 IC50 > 5000.0 nM -