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PubMed code 19261472

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50241504
PNG
(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
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n/an/a 240n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50278741
PNG
(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=O)c2O)cc1
Show InChI InChI=1S/C15H15NO5/c1-9-7-12(17)13(18)14(21-9)15(19)16-8-10-3-5-11(20-2)6-4-10/h3-7,18H,8H2,1-2H3,(H,16,19)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50278742
PNG
(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C14H13NO5/c1-8-6-11(17)12(18)13(20-8)14(19)15-7-9-2-4-10(16)5-3-9/h2-6,16,18H,7H2,1H3,(H,15,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50278743
PNG
(AM-2S | CHEMBL470194 | N-(biphenyl-4-ylmethyl)-3-h...)
Show SMILES Cc1cc(=S)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO3S/c1-13-11-17(25)18(22)19(24-13)20(23)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,22H,12H2,1H3,(H,21,23)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241504
PNG
(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50278812
PNG
(5-Hydroxy-4-thioxo-4H-pyran-2-carboxylic acid (bip...)
Show SMILES Oc1coc(cc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-16-12-23-17(10-18(16)24)19(22)20-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-10,12,21H,11H2,(H,20,22)
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n/an/a 1.33E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50278813
PNG
(5-Hydroxy-4-thioxo-4H-pyran-2-carboxylic acid 4-me...)
Show SMILES COc1ccc(CNC(=O)c2cc(=S)c(O)co2)cc1
Show InChI InChI=1S/C14H13NO4S/c1-18-10-4-2-9(3-5-10)7-15-14(17)12-6-13(20)11(16)8-19-12/h2-6,8,16H,7H2,1H3,(H,15,17)
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n/an/a 1.39E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50278812
PNG
(5-Hydroxy-4-thioxo-4H-pyran-2-carboxylic acid (bip...)
Show SMILES Oc1coc(cc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-16-12-23-17(10-18(16)24)19(22)20-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-10,12,21H,11H2,(H,20,22)
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n/an/a 1.44E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50278740
PNG
(3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic ...)
Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1
Show InChI InChI=1S/C15H15NO4S/c1-9-7-12(21)13(17)14(20-9)15(18)16-8-10-3-5-11(19-2)6-4-10/h3-7,17H,8H2,1-2H3,(H,16,18)
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n/an/a 1.64E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50278740
PNG
(3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic ...)
Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1
Show InChI InChI=1S/C15H15NO4S/c1-9-7-12(21)13(17)14(20-9)15(18)16-8-10-3-5-11(19-2)6-4-10/h3-7,17H,8H2,1-2H3,(H,16,18)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50278814
PNG
(CHEMBL498272 | N-(biphenyl-4-ylmethyl)-5-hydroxy-2...)
Show SMILES Cc1occ(O)c(=S)c1C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO3S/c1-13-18(19(25)17(22)12-24-13)20(23)21-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12,22H,11H2,1H3,(H,21,23)
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50278740
PNG
(3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic ...)
Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1
Show InChI InChI=1S/C15H15NO4S/c1-9-7-12(21)13(17)14(20-9)15(18)16-8-10-3-5-11(19-2)6-4-10/h3-7,17H,8H2,1-2H3,(H,16,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50278070
PNG
(5-Hydroxy-2-methyl-4-thioxo-4H-pyran-3-carboxylic ...)
Show SMILES COc1ccc(CNC(=O)c2c(C)occ(O)c2=S)cc1
Show InChI InChI=1S/C15H15NO4S/c1-9-13(14(21)12(17)8-20-9)15(18)16-7-10-3-5-11(19-2)6-4-10/h3-6,8,17H,7H2,1-2H3,(H,16,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50278130
PNG
(2-{[(Biphenyl-4-ylmethyl)-amino]-methyl}-3-hydroxy...)
Show SMILES Cc1cc(=O)c(O)c(CNCc2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C20H19NO3/c1-14-11-18(22)20(23)19(24-14)13-21-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,21,23H,12-13H2,1H3
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n/an/a 3.77E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50278812
PNG
(5-Hydroxy-4-thioxo-4H-pyran-2-carboxylic acid (bip...)
Show SMILES Oc1coc(cc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-16-12-23-17(10-18(16)24)19(22)20-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-10,12,21H,11H2,(H,20,22)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50241504
PNG
(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain by fluorescent substrate assay


Bioorg Med Chem Lett 19: 1970-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.044
BindingDB Entry DOI: 10.7270/Q2H99536
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%