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Assay Detail

CHEMBL5733563

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

Binding
In Vitro Assay: MMP-14:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP14 (Biomol, Cat #SE-259).For the dose response (10 point), 4 μL of a dilution series of compound 2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 μM), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 μL buffer solution (50 mM MOPS pH7, 5 mM CaCl2, 1 μM ZnCl2, 0.1% Brij-35) containing MMP14 (0.05 ng/μL) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 μL, 2.5 μM) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at room temperature (Excitation 485 nm, Emission 530).
384
Total Activities
117
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

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

Target

Matrix metalloproteinase-14 (CHEMBL3869)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis
(2018)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 128 6.09 8.15
kon 128 - -
k_off 128 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL6024784 3 8.15
CHEMBL5859458 3 8.15
CHEMBL5831615 3 7.58
CHEMBL5961990 3 7.58
CHEMBL5802716 6 7.51
CHEMBL5962730 3 7.28
CHEMBL5970747 6 6.68
CHEMBL4874034 3 6.42
CHEMBL5954577 3 6.42
CHEMBL5913296 3 6.42
CHEMBL5899647 3 6.42
CHEMBL5829727 3 6.41
CHEMBL6054615 3 6.30
CHEMBL5837951 3 6.28
CHEMBL5962512 6 6.26
CHEMBL5969470 3 6.26
CHEMBL5769726 6 6.26
CHEMBL5742640 6 6.24
CHEMBL5880676 3 6.17
CHEMBL6006530 3 6.17
CHEMBL5793217 3 6.15
CHEMBL5795237 3 6.13
CHEMBL5813943 3 6.08
CHEMBL6007842 3 6.07
CHEMBL6053977 6 6.06
CHEMBL6053142 3 6.03
CHEMBL5831090 3 6.01
CHEMBL5861219 3 6.01
CHEMBL6023444 6 6.00
CHEMBL5862883 3 5.99

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5859458 IC50 = 7.0 nM 8.15
CHEMBL6024784 IC50 = 7.0 nM 8.15
CHEMBL5831615 IC50 = 26.0 nM 7.58
CHEMBL5961990 IC50 = 26.0 nM 7.58
CHEMBL5802716 IC50 = 31.0 nM 7.51
CHEMBL5962730 IC50 = 53.0 nM 7.28
CHEMBL5970747 IC50 = 209.0 nM 6.68
CHEMBL4874034 IC50 = 378.0 nM 6.42
CHEMBL5954577 IC50 = 378.0 nM 6.42
CHEMBL5913296 IC50 = 384.0 nM 6.42
CHEMBL5899647 IC50 = 384.0 nM 6.42
CHEMBL5829727 IC50 = 387.0 nM 6.41
CHEMBL6054615 IC50 = 501.0 nM 6.30
CHEMBL5837951 IC50 = 520.0 nM 6.28
CHEMBL5962512 IC50 = 549.0 nM 6.26
CHEMBL5969470 IC50 = 549.0 nM 6.26
CHEMBL5769726 IC50 = 547.0 nM 6.26
CHEMBL5742640 IC50 = 581.0 nM 6.24
CHEMBL6006530 IC50 = 682.0 nM 6.17
CHEMBL5880676 IC50 = 682.0 nM 6.17
CHEMBL5793217 IC50 = 701.0 nM 6.15
CHEMBL5795237 IC50 = 740.0 nM 6.13
CHEMBL5813943 IC50 = 823.0 nM 6.08
CHEMBL5769726 IC50 = 823.0 nM 6.08
CHEMBL6007842 IC50 = 848.0 nM 6.07
CHEMBL6053977 IC50 = 879.0 nM 6.06
CHEMBL6053142 IC50 = 945.0 nM 6.03
CHEMBL5831090 IC50 = 978.0 nM 6.01
CHEMBL5861219 IC50 = 978.0 nM 6.01
CHEMBL6023444 IC50 = 990.0 nM 6.00
CHEMBL5862883 IC50 = 1020.0 nM 5.99
CHEMBL5926301 IC50 = 1100.0 nM 5.96
CHEMBL5935305 IC50 = 1230.0 nM 5.91
CHEMBL5902596 IC50 = 1220.0 nM 5.91
CHEMBL5801234 IC50 = 1230.0 nM 5.91
CHEMBL6024813 IC50 = 1230.0 nM 5.91
CHEMBL5760423 IC50 = 1220.0 nM 5.91
CHEMBL6016907 IC50 = 1310.0 nM 5.88
CHEMBL6065607 IC50 = 1330.0 nM 5.88
CHEMBL5864271 IC50 = 1310.0 nM 5.88
CHEMBL5742640 IC50 = 1345.0 nM 5.87
CHEMBL5912335 IC50 = 1380.0 nM 5.86
CHEMBL5973514 IC50 = 1440.0 nM 5.84
CHEMBL5802577 IC50 = 1530.0 nM 5.82
CHEMBL6046223 IC50 = 1540.0 nM 5.81
CHEMBL5962512 IC50 = 1620.0 nM 5.79
CHEMBL5941233 IC50 = 1860.0 nM 5.73
CHEMBL4859812 IC50 = 2053.0 nM 5.69
CHEMBL5849058 IC50 = 2295.0 nM 5.64
CHEMBL5760423 IC50 = 2590.0 nM 5.59