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Assay Detail

CHEMBL2066883

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

Binding
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured for 10 mins by fluorometry
16
Total Activities
16
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

A new class of highly potent matrix metalloproteinase inhibitors based on triazole-substituted hydroxamates: (radio)synthesis and in vitro and first in vivo evaluation.
Hugenberg V, Breyholz HJ, Riemann B, Hermann S, Schober O, Schäfers M, Gangadharmath U, Mocharla V, Kolb H, Walsh J, Zhang W, Kopka K, Wagner S.
J Med Chem (2012) 55 : 4714 -4727
PubMed 22540974 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 8.77 10.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2064548 1 10.70
CHEMBL2064549 1 10.40
CHEMBL2064542 1 10.05
CHEMBL2064552 1 9.30
CHEMBL2064544 1 9.00
CHEMBL2064551 1 9.00
CHEMBL2064540 1 8.40
CHEMBL2064546 1 8.30
CHEMBL2064541 1 8.22
CHEMBL2064550 1 8.22
CHEMBL2064545 1 8.00
CHEMBL429800 1 7.96
CHEMBL2064543 1 7.75
CHEMBL514138 CGS-27023A 1 7.47
CHEMBL2064547 1 -
CHEMBL2064553 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2064548 IC50 = 0.02 nM 10.70
CHEMBL2064549 IC50 = 0.04 nM 10.40
CHEMBL2064542 IC50 = 0.09 nM 10.05
CHEMBL2064552 IC50 = 0.5 nM 9.30
CHEMBL2064544 IC50 = 1.0 nM 9.00
CHEMBL2064551 IC50 = 1.0 nM 9.00
CHEMBL2064540 IC50 = 4.0 nM 8.40
CHEMBL2064546 IC50 = 5.0 nM 8.30
CHEMBL2064541 IC50 = 6.0 nM 8.22
CHEMBL2064550 IC50 = 6.0 nM 8.22
CHEMBL2064545 IC50 = 10.0 nM 8.00
CHEMBL429800 IC50 = 11.0 nM 7.96
CHEMBL2064543 IC50 = 18.0 nM 7.75
CHEMBL514138 CGS-27023A IC50 = 34.0 nM 7.47
CHEMBL2064547 IC50 = 0.006 nM -
CHEMBL2064553 IC50 > 100000.0 nM -