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Assay Detail

CHEMBL3588573

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

Binding
Inhibition of human active MMP2 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 fluorogenic substrate assessed as fluorescent product release
18
Total Activities
18
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

72 kDa type IV collagenase (CHEMBL333)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

New matrix metalloproteinase inhibitors based on γ-fluorinated α-aminocarboxylic and α-aminohydroxamic acids.
Behrends M, Wagner S, Kopka K, Schober O, Schäfers M, Kumbhar S, Waller M, Haufe G.
Bioorg Med Chem (2015) 23 : 3809 -3818
PubMed 25921268 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 6.88 8.70
Ki 2 7.83 7.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3585761 1 8.70
CHEMBL3585769 1 8.41
CHEMBL3585770 1 8.20
CHEMBL3585765 1 8.19
CHEMBL3585774 1 8.14
CHEMBL3585773 1 8.03
CHEMBL85030 1 7.96
CHEMBL514138 CGS-27023A 1 7.70
CHEMBL3585766 1 7.48
CHEMBL3585762 1 5.85
CHEMBL3585767 1 5.68
CHEMBL3585759 1 4.99
CHEMBL3585764 1 4.46
CHEMBL3585771 1 4.45
CHEMBL3585768 1 -
CHEMBL3585772 1 -
CHEMBL3585763 1 -
CHEMBL3585760 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3585761 IC50 = 2.0 nM 8.70
CHEMBL3585769 IC50 = 3.9 nM 8.41
CHEMBL3585770 IC50 = 6.3 nM 8.20
CHEMBL3585765 IC50 = 6.4 nM 8.19
CHEMBL3585774 IC50 = 7.2 nM 8.14
CHEMBL3585773 IC50 = 9.3 nM 8.03
CHEMBL85030 Ki = 11.0 nM 7.96
CHEMBL514138 CGS-27023A Ki = 20.0 nM 7.70
CHEMBL3585766 IC50 = 32.8 nM 7.48
CHEMBL3585762 IC50 = 1400.0 nM 5.85
CHEMBL3585767 IC50 = 2100.0 nM 5.68
CHEMBL3585759 IC50 = 10300.0 nM 4.99
CHEMBL3585764 IC50 = 34700.0 nM 4.46
CHEMBL3585771 IC50 = 35700.0 nM 4.45
CHEMBL3585768 IC50 > 100000.0 nM -
CHEMBL3585772 IC50 > 100000.0 nM -
CHEMBL3585763 IC50 > 100000.0 nM -
CHEMBL3585760 IC50 > 100000.0 nM -