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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 393.4
BDBM8465
Wt: 385.4
BDBM50098915
Wt: 371.4
BDBM50098917
Wt: 419.4
BDBM50098918
Wt: 385.4
BDBM50098919
Wt: 473.5
BDBM50098920
Wt: 343.3
BDBM50098922
Wt: 383.4
BDBM50098923
Wt: 411.4
BDBM50098924
Wt: 463.5
BDBM50098914
Wt: 302.3
BDBM50149234
Purchase
Wt: 450.4
BDBM50170290
Wt: 460.5
BDBM50170299
Wt: 478.5
BDBM50170301
Wt: 374.4
BDBM50291979
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 242 hits in this display   
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
Collagenase


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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1.27 -50.3 1.90n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-9


Bioorg Med Chem Lett 9: 2049-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00311-x
BindingDB Entry DOI: 10.7270/Q22R3S5Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9 (MMP-9).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 flu...


Bioorg Med Chem 23: 3809-18 (2015)


Article DOI: 10.1016/j.bmc.2015.03.078
BindingDB Entry DOI: 10.7270/Q2NS0WNQ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 9


J Med Chem 42: 87-94 (1999)


Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of truncated gelatinase B (Matrix metalloprotease-9)


J Med Chem 41: 3568-71 (1998)


Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (Matrix metalloprotease-2)


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 flu...


Bioorg Med Chem 23: 3809-18 (2015)


Article DOI: 10.1016/j.bmc.2015.03.078
BindingDB Entry DOI: 10.7270/Q2NS0WNQ
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 2


J Med Chem 42: 87-94 (1999)


Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 2


Bioorg Med Chem Lett 9: 2049-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00311-x
BindingDB Entry DOI: 10.7270/Q22R3S5Q
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2 (MMP-2).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 1


J Med Chem 42: 87-94 (1999)


Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 1


Bioorg Med Chem Lett 9: 2049-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00311-x
BindingDB Entry DOI: 10.7270/Q22R3S5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of truncated collagenase-1 (Matrix metalloprotease-1)


J Med Chem 41: 3568-71 (1998)


Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-1


J Med Chem 47: 2761-7 (2004)


Article DOI: 10.1021/jm031061l
BindingDB Entry DOI: 10.7270/Q2ZG6T0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of collagenase-1 (Matrix metalloprotease-1)


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1 (MMP-1).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-3


J Med Chem 42: 87-94 (1999)


Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3 (MMP-3).


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of truncated stromelysin (Matrix metalloprotease-3)


J Med Chem 41: 3568-71 (1998)


Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 3


Bioorg Med Chem Lett 9: 2049-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00311-x
BindingDB Entry DOI: 10.7270/Q22R3S5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by CO2 hydration method


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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2.81E+5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration method


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 0.340n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 0.708n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098918
PNG
((R)-1-Benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098918
PNG
((R)-1-Benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50098923
PNG
((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2CCCN2C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H21N3O6S/c1-25-12-4-6-13(7-5-12)26(23,24)19-10-11-3-2-8-18(11)15(20)9-14(19)16(21)17-22/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,17,21)/t11-,14+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6440-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.087
BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098919
PNG
((R)-1-Isopropyl-4-(4-methoxy-benzenesulfonyl)-7-ox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C(C)C)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H23N3O6S/c1-11(2)18-8-9-19(14(10-15(18)20)16(21)17-22)26(23,24)13-6-4-12(25-3)5-7-13/h4-7,11,14,22H,8-10H2,1-3H3,(H,17,21)/t14-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
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