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PubMed code 17981034

Compile data set for download or QSAR
Found 51 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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374494
PNG
(CHEMBL271736)
Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374494
PNG
(CHEMBL271736)
Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374491
PNG
(CHEMBL271720)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H15F3N2O6S/c1-23(17-3-2-12-24(26)18(17)25)31(27,28)16-10-8-14(9-11-16)29-13-4-6-15(7-5-13)30-19(20,21)22/h2-12,26H,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374484
PNG
(CHEMBL403412)
Show SMILES CCN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O5S/c1-2-21(18-9-6-14-20(23)19(18)22)27(24,25)17-12-10-16(11-13-17)26-15-7-4-3-5-8-15/h3-14,23H,2H2,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 4.20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374500
PNG
(CHEMBL257673)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H18N2O5S/c1-14-5-7-15(8-6-14)26-16-9-11-17(12-10-16)27(24,25)20(2)18-4-3-13-21(23)19(18)22/h3-13,23H,1-2H3
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n/an/a 4.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374493
PNG
(CHEMBL429431)
Show SMILES On1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H22ClN3O7S/c24-17-3-5-18(6-4-17)34-19-7-9-20(10-8-19)35(31,32)27(21-2-1-11-26(30)23(21)29)16-22(28)25-12-14-33-15-13-25/h1-11,30H,12-16H2
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n/an/a 4.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374495
PNG
(CHEMBL402554)
Show SMILES On1cccc(N(CCN2CCSCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O5S2/c24-18-3-5-19(6-4-18)32-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-33-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 4.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374493
PNG
(CHEMBL429431)
Show SMILES On1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H22ClN3O7S/c24-17-3-5-18(6-4-17)34-19-7-9-20(10-8-19)35(31,32)27(21-2-1-11-26(30)23(21)29)16-22(28)25-12-14-33-15-13-25/h1-11,30H,12-16H2
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n/an/a 4.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374499
PNG
(CHEMBL257672)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O5S/c1-19(17-8-5-13-20(22)18(17)21)26(23,24)16-11-9-15(10-12-16)25-14-6-3-2-4-7-14/h2-13,22H,1H3
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a 5.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374491
PNG
(CHEMBL271720)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H15F3N2O6S/c1-23(17-3-2-12-24(26)18(17)25)31(27,28)16-10-8-14(9-11-16)29-13-4-6-15(7-5-13)30-19(20,21)22/h2-12,26H,1H3
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n/an/a 5.70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374500
PNG
(CHEMBL257673)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H18N2O5S/c1-14-5-7-15(8-6-14)26-16-9-11-17(12-10-16)27(24,25)20(2)18-4-3-13-21(23)19(18)22/h3-13,23H,1-2H3
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n/an/a 6.10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374495
PNG
(CHEMBL402554)
Show SMILES On1cccc(N(CCN2CCSCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O5S2/c24-18-3-5-19(6-4-18)32-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-33-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 6.10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374484
PNG
(CHEMBL403412)
Show SMILES CCN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O5S/c1-2-21(18-9-6-14-20(23)19(18)22)27(24,25)17-12-10-16(11-13-17)26-15-7-4-3-5-8-15/h3-14,23H,2H2,1H3
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n/an/a 6.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a 6.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374499
PNG
(CHEMBL257672)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O5S/c1-19(17-8-5-13-20(22)18(17)21)26(23,24)16-11-9-15(10-12-16)25-14-6-3-2-4-7-14/h2-13,22H,1H3
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n/an/a 8.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM82186
PNG
(AM-5)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374497
PNG
(CHEMBL255995)
Show SMILES On1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C24H20N2O5S/c27-24-23(12-7-17-25(24)28)26(18-19-8-3-1-4-9-19)32(29,30)22-15-13-21(14-16-22)31-20-10-5-2-6-11-20/h1-17,28H,18H2
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n/an/a 22.4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374492
PNG
(CHEMBL271520)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O5S/c1-23(17-3-2-12-24(26)18(17)25)30(27,28)16-10-8-15(9-11-16)29-14-6-4-13(5-7-14)19(20,21)22/h2-12,26H,1H3
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n/an/a 32.6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374497
PNG
(CHEMBL255995)
Show SMILES On1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C24H20N2O5S/c27-24-23(12-7-17-25(24)28)26(18-19-8-3-1-4-9-19)32(29,30)22-15-13-21(14-16-22)31-20-10-5-2-6-11-20/h1-17,28H,18H2
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n/an/a 33.4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374501
PNG
(CHEMBL257086)
Show SMILES CN(c1ccc(C)n(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H17ClN2O5S/c1-13-3-12-18(19(23)22(13)24)21(2)28(25,26)17-10-8-16(9-11-17)27-15-6-4-14(20)5-7-15/h3-12,24H,1-2H3
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n/an/a 34.9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374498
PNG
(CHEMBL255996)
Show SMILES CC(C)N(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O5S/c1-15(2)22(19-9-6-14-21(24)20(19)23)28(25,26)18-12-10-17(11-13-18)27-16-7-4-3-5-8-16/h3-15,24H,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 56.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374498
PNG
(CHEMBL255996)
Show SMILES CC(C)N(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O5S/c1-15(2)22(19-9-6-14-21(24)20(19)23)28(25,26)18-12-10-17(11-13-18)27-16-7-4-3-5-8-16/h3-15,24H,1-2H3
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n/an/a 57.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374489
PNG
(CHEMBL256843)
Show SMILES ON1CCC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
Show InChI InChI=1S/C17H17ClN2O5S/c18-12-3-5-13(6-4-12)25-14-7-9-15(10-8-14)26(23,24)19-16-2-1-11-20(22)17(16)21/h3-10,16,19,22H,1-2,11H2/t16-/m1/s1
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n/an/a 57.9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 62.9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374502
PNG
(CHEMBL257874)
Show SMILES CN(c1c(C)ccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H17ClN2O5S/c1-13-11-12-22(24)19(23)18(13)21(2)28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h3-12,24H,1-2H3
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n/an/a 66.2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374501
PNG
(CHEMBL257086)
Show SMILES CN(c1ccc(C)n(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H17ClN2O5S/c1-13-3-12-18(19(23)22(13)24)21(2)28(25,26)17-10-8-16(9-11-17)27-15-6-4-14(20)5-7-15/h3-12,24H,1-2H3
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n/an/a 66.4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a 79.1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374492
PNG
(CHEMBL271520)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N2O5S/c1-23(17-3-2-12-24(26)18(17)25)30(27,28)16-10-8-15(9-11-16)29-14-6-4-13(5-7-14)19(20,21)22/h2-12,26H,1H3
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n/an/a 105n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374489
PNG
(CHEMBL256843)
Show SMILES ON1CCC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
Show InChI InChI=1S/C17H17ClN2O5S/c18-12-3-5-13(6-4-12)25-14-7-9-15(10-8-14)26(23,24)19-16-2-1-11-20(22)17(16)21/h3-10,16,19,22H,1-2,11H2/t16-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374502
PNG
(CHEMBL257874)
Show SMILES CN(c1c(C)ccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H17ClN2O5S/c1-13-11-12-22(24)19(23)18(13)21(2)28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h3-12,24H,1-2H3
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n/an/a 159n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374488
PNG
(CHEMBL255171)
Show SMILES On1cccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C17H13ClN2O5S/c18-12-3-5-13(6-4-12)25-14-7-9-15(10-8-14)26(23,24)19-16-2-1-11-20(22)17(16)21/h1-11,19,22H
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n/an/a 242n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374488
PNG
(CHEMBL255171)
Show SMILES On1cccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C17H13ClN2O5S/c18-12-3-5-13(6-4-12)25-14-7-9-15(10-8-14)26(23,24)19-16-2-1-11-20(22)17(16)21/h1-11,19,22H
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n/an/a 315n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM82186
PNG
(AM-5)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)
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n/an/a 610n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374485
PNG
(CHEMBL444279)
Show SMILES CN(c1cc(Br)cn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14BrClN2O5S/c1-21(17-10-12(19)11-22(24)18(17)23)28(25,26)16-8-6-15(7-9-16)27-14-4-2-13(20)3-5-14/h2-11,24H,1H3
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n/an/a 662n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374490
PNG
(CHEMBL256642)
Show SMILES On1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1=S
Show InChI InChI=1S/C24H20N2O4S2/c27-25-17-7-12-23(24(25)31)26(18-19-8-3-1-4-9-19)32(28,29)22-15-13-21(14-16-22)30-20-10-5-2-6-11-20/h1-17,27H,18H2
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n/an/a 693n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374487
PNG
(CHEMBL255375)
Show SMILES On1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C17H13ClN2O4S/c18-14-7-3-12(4-8-14)13-5-9-15(10-6-13)25(23,24)19-16-2-1-11-20(22)17(16)21/h1-11,19,22H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374487
PNG
(CHEMBL255375)
Show SMILES On1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C17H13ClN2O4S/c18-14-7-3-12(4-8-14)13-5-9-15(10-6-13)25(23,24)19-16-2-1-11-20(22)17(16)21/h1-11,19,22H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374485
PNG
(CHEMBL444279)
Show SMILES CN(c1cc(Br)cn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14BrClN2O5S/c1-21(17-10-12(19)11-22(24)18(17)23)28(25,26)16-8-6-15(7-9-16)27-14-4-2-13(20)3-5-14/h2-11,24H,1H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374490
PNG
(CHEMBL256642)
Show SMILES On1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1=S
Show InChI InChI=1S/C24H20N2O4S2/c27-25-17-7-12-23(24(25)31)26(18-19-8-3-1-4-9-19)32(28,29)22-15-13-21(14-16-22)30-20-10-5-2-6-11-20/h1-17,27H,18H2
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n/an/a 4.59E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%