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Assay Detail

CHEMBL2338837

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

Binding
Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins
73
Total Activities
73
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

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

Publication

Synthesis and structure-activity relationship analysis of caffeic acid amides as selective matrix metalloproteinase inhibitors.
Shi ZH, Li NG, Shi QP, Tang H, Tang YP, Li W, Yin L, Yang JP, Duan JA.
Bioorg Med Chem Lett (2013) 23 : 1206 -1211
PubMed 23375794 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 73 7.50 8.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL69803 1 8.48
CHEMBL1163455 1 8.47
CHEMBL1165106 1 8.45
CHEMBL2336340 1 8.40
CHEMBL2336343 1 8.39
CHEMBL2336779 1 8.38
CHEMBL2336346 4-METHYL-(4'-HYDROXY)CINNAMANILIDE 1 8.38
CHEMBL2336782 1 8.37
CHEMBL2336785 4-METHYL-(3'-HYDROXY)CINNAMANILIDE 1 8.35
CHEMBL421295 1 8.29
CHEMBL1165627 1 8.28
CHEMBL229844 1 8.28
CHEMBL2336357 N-(4-METHOXYPHENYL)CINNAMAMIDE 1 8.27
CHEMBL2336359 N-P-TOLYLCINNAMAMIDE 1 8.26
CHEMBL2336338 1 8.26
CHEMBL2336341 1 8.26
CHEMBL2336344 1 8.25
CHEMBL2336365 1 8.25
CHEMBL2336780 1 8.25
CHEMBL2336783 1 8.24
CHEMBL1165152 1 8.22
CHEMBL2336353 N-(2-HYDROXYPHENYL)CINNAMAMIDE 1 8.21
CHEMBL2336355 N-(2-METHOXYPHENYL)CINNAMAMIDE 1 8.20
CHEMBL2336358 N-O-TOLYLCINNAMAMIDE 1 8.19
CHEMBL67498 CAFFEIC ACID PHENETHYL AMIDE 1 8.09
CHEMBL67291 1 8.09
CHEMBL275362 1 8.09
CHEMBL1163444 1 8.08
CHEMBL2336337 1 8.08
CHEMBL325749 1 8.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL69803 IC50 = 3.28 nM 8.48
CHEMBL1163455 IC50 = 3.42 nM 8.47
CHEMBL1165106 IC50 = 3.55 nM 8.45
CHEMBL2336340 IC50 = 3.97 nM 8.40
CHEMBL2336343 IC50 = 4.09 nM 8.39
CHEMBL2336779 IC50 = 4.18 nM 8.38
CHEMBL2336346 4-METHYL-(4'-HYDROXY)CINNAMANILIDE IC50 = 4.19 nM 8.38
CHEMBL2336782 IC50 = 4.32 nM 8.37
CHEMBL2336785 4-METHYL-(3'-HYDROXY)CINNAMANILIDE IC50 = 4.43 nM 8.35
CHEMBL421295 IC50 = 5.09 nM 8.29
CHEMBL1165627 IC50 = 5.27 nM 8.28
CHEMBL229844 IC50 = 5.28 nM 8.28
CHEMBL2336357 N-(4-METHOXYPHENYL)CINNAMAMIDE IC50 = 5.37 nM 8.27
CHEMBL2336338 IC50 = 5.47 nM 8.26
CHEMBL2336359 N-P-TOLYLCINNAMAMIDE IC50 = 5.46 nM 8.26
CHEMBL2336341 IC50 = 5.53 nM 8.26
CHEMBL2336344 IC50 = 5.62 nM 8.25
CHEMBL2336365 IC50 = 5.57 nM 8.25
CHEMBL2336780 IC50 = 5.62 nM 8.25
CHEMBL2336783 IC50 = 5.73 nM 8.24
CHEMBL1165152 IC50 = 5.97 nM 8.22
CHEMBL2336353 N-(2-HYDROXYPHENYL)CINNAMAMIDE IC50 = 6.24 nM 8.21
CHEMBL2336355 N-(2-METHOXYPHENYL)CINNAMAMIDE IC50 = 6.32 nM 8.20
CHEMBL2336358 N-O-TOLYLCINNAMAMIDE IC50 = 6.41 nM 8.19
CHEMBL275362 IC50 = 8.05 nM 8.09
CHEMBL67291 IC50 = 8.22 nM 8.09
CHEMBL67498 CAFFEIC ACID PHENETHYL AMIDE IC50 = 8.2 nM 8.09
CHEMBL1163444 IC50 = 8.31 nM 8.08
CHEMBL2336337 IC50 = 8.32 nM 8.08
CHEMBL325749 IC50 = 8.37 nM 8.08
CHEMBL1164826 4-HYDROXY-CINNAMANILIDE IC50 = 8.3 nM 8.08
CHEMBL2336349 IC50 = 8.39 nM 8.08
CHEMBL2336364 IC50 = 8.46 nM 8.07
CHEMBL2336363 IC50 = 8.44 nM 8.07
CHEMBL2336362 3-HYDROXY-CINNAMANILIDE IC50 = 8.41 nM 8.07
CHEMBL2336788 IC50 = 8.59 nM 8.07
CHEMBL1165150 IC50 = 8.95 nM 8.05
CHEMBL1165574 IC50 = 8.92 nM 8.05
CHEMBL1830129 N-PHENYLCINNAMAMIDE IC50 = 8.95 nM 8.05
CHEMBL2336352 N-BENZYLCINNAMAMIDE IC50 = 9.02 nM 8.04
CHEMBL2336351 IC50 = 9.04 nM 8.04
CHEMBL2336786 IC50 = 9.09 nM 8.04
CHEMBL1163867 IC50 = 9.11 nM 8.04
CHEMBL2336336 IC50 = 9.11 nM 8.04
CHEMBL1305393 IC50 = 9.13 nM 8.04
CHEMBL2336347 IC50 = 9.01 nM 8.04
CHEMBL2336361 N-(4-FLUOROPHENYL)CINNAMAMIDE IC50 = 9.17 nM 8.04
CHEMBL2336789 IC50 = 9.41 nM 8.03
CHEMBL2336350 IC50 = 9.26 nM 8.03
CHEMBL1998736 N-(2-FLUOROPHENYL)CINNAMAMIDE IC50 = 9.66 nM 8.02