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BDBM50210054 (R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl 3-(3,4-dihydroxyphenyl)acrylate::3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(3,4-dihydroxy-phenyl)-1-methoxy carbonyl-ethyl ester::CHEMBL241405

SMILES: COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key: InChIKey=XHALVRQBZGZHFE-BBOMDTFKSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50210054   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 2.75E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 3.58E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 2.83E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)

More data for this
Ligand-Target Pair