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Assay Detail

CHEMBL715008

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Binding
In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-2
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold.
Schröder J, Henke A, Wenzel H, Brandstetter H, Stammler HG, Stammler A, Pfeiffer WD, Tschesche H.
J Med Chem (2001) 44 : 3231 -3243
PubMed 11563922 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 19 6.47 7.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL109806 1 7.10
CHEMBL111179 1 7.05
CHEMBL111257 1 6.85
CHEMBL110970 1 6.82
CHEMBL111450 1 6.68
CHEMBL422250 1 6.62
CHEMBL110750 1 6.57
CHEMBL321213 1 6.52
CHEMBL322795 1 6.47
CHEMBL109655 1 6.39
CHEMBL109214 1 6.36
CHEMBL109579 1 6.35
CHEMBL109353 1 6.30
CHEMBL419750 1 6.28
CHEMBL109861 1 6.26
CHEMBL422251 1 6.07
CHEMBL109603 1 6.06
CHEMBL111678 1 5.73
CHEMBL108494 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL109806 Ki = 80.0 nM 7.10
CHEMBL111179 Ki = 90.0 nM 7.05
CHEMBL111257 Ki = 140.0 nM 6.85
CHEMBL110970 Ki = 150.0 nM 6.82
CHEMBL111450 Ki = 210.0 nM 6.68
CHEMBL422250 Ki = 240.0 nM 6.62
CHEMBL110750 Ki = 270.0 nM 6.57
CHEMBL321213 Ki = 300.0 nM 6.52
CHEMBL322795 Ki = 340.0 nM 6.47
CHEMBL109655 Ki = 410.0 nM 6.39
CHEMBL109214 Ki = 440.0 nM 6.36
CHEMBL109579 Ki = 450.0 nM 6.35
CHEMBL109353 Ki = 500.0 nM 6.30
CHEMBL419750 Ki = 520.0 nM 6.28
CHEMBL109861 Ki = 550.0 nM 6.26
CHEMBL422251 Ki = 850.0 nM 6.07
CHEMBL109603 Ki = 880.0 nM 6.06
CHEMBL111678 Ki = 1870.0 nM 5.73
CHEMBL108494 Ki > 15000.0 nM -