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PubMed code 12773042

Compile data set for download or QSAR
Found 195 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))
BDBM50128649
PNG
(1-(4-methoxybenzyl)-4-(4-(4-chlorophenoxy)phenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128645
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-4-(4-butoxy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C30H43N3O6S/c1-2-3-22-38-27-11-13-28(14-12-27)40(36,37)30(29(34)31-35)15-19-33(20-16-30)24-25-7-9-26(10-8-25)39-23-21-32-17-5-4-6-18-32/h7-14,35H,2-6,15-24H2,1H3,(H,31,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128667
PNG
(1-Benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-2-3-17-30-20-9-11-21(12-10-20)31(28,29)23(22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,2-3,13-18H2,1H3,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128651
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-1-ethyl-N-hy...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-2-23-13-11-20(12-14-23,19(24)22-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-15(21)4-6-16/h3-10,25H,2,11-14H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128643
PNG
(1-(4-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OC)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-17-32-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)18-19-5-7-20(31-2)8-6-19/h5-12,28H,3-4,13-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128668
PNG
(1-Butyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-p...)
Show SMILES CCCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-3-14-25-15-12-22(13-16-25,21(26)24-27)31(28,29)20-10-8-19(9-11-20)30-18-6-4-17(23)5-7-18/h4-11,27H,2-3,12-16H2,1H3,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128651
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-1-ethyl-N-hy...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-2-23-13-11-20(12-14-23,19(24)22-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-15(21)4-6-16/h3-10,25H,2,11-14H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128649
PNG
(1-(4-methoxybenzyl)-4-(4-(4-chlorophenoxy)phenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128597
PNG
((R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(OCCN2CCCCC2)cc1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-24(23(27)25-28,33(29,30)22-12-10-20(31-2)11-13-22)18-19-6-8-21(9-7-19)32-17-16-26-14-4-3-5-15-26/h6-13,28H,3-5,14-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128668
PNG
(1-Butyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-p...)
Show SMILES CCCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-3-14-25-15-12-22(13-16-25,21(26)24-27)31(28,29)20-10-8-19(9-11-20)30-18-6-4-17(23)5-7-18/h4-11,27H,2-3,12-16H2,1H3,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128673
PNG
(1-(3-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-16-32-20-8-10-22(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)18-19-6-5-7-21(17-19)31-2/h5-11,17,28H,3-4,12-16,18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128659
PNG
(4-(4-Butoxy-benzenesulfonyl)-tetrahydro-pyran-4-ca...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C16H23NO6S/c1-2-3-10-23-13-4-6-14(7-5-13)24(20,21)16(15(18)17-19)8-11-22-12-9-16/h4-7,19H,2-3,8-12H2,1H3,(H,17,18)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128635
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-ethyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC)CC1)C(=O)NO
Show InChI InChI=1S/C18H28N2O5S/c1-3-5-14-25-15-6-8-16(9-7-15)26(23,24)18(17(21)19-22)10-12-20(4-2)13-11-18/h6-9,22H,3-5,10-14H2,1-2H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128656
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypip...)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128652
PNG
(1-Benzyl-4-(4-methoxy-benzenesulfonyl)-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H24N2O5S/c1-27-17-7-9-18(10-8-17)28(25,26)20(19(23)21-24)11-13-22(14-12-20)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128656
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypip...)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128640
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-[3-(2-morpholin-4-y...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1)C(=O)NO
Show InChI InChI=1S/C29H41N3O7S/c1-2-3-18-38-25-7-9-27(10-8-25)40(35,36)29(28(33)30-34)11-13-32(14-12-29)23-24-5-4-6-26(22-24)39-21-17-31-15-19-37-20-16-31/h4-10,22,34H,2-3,11-21,23H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128632
PNG
(1-(4-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-5-3-16(4-6-17)15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(29-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128674
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxy-1-...)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O5S/c1-22-12-10-19(11-13-22,18(23)21-24)28(25,26)17-8-6-16(7-9-17)27-15-4-2-14(20)3-5-15/h2-9,24H,10-13H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128665
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-methyl-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-3-4-13-24-14-5-7-15(8-6-14)25(22,23)17(16(20)18-21)9-11-19(2)12-10-17/h5-8,21H,3-4,9-13H2,1-2H3,(H,18,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128645
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-4-(4-butoxy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C30H43N3O6S/c1-2-3-22-38-27-11-13-28(14-12-27)40(36,37)30(29(34)31-35)15-19-33(20-16-30)24-25-7-9-26(10-8-25)39-23-21-32-17-5-4-6-18-32/h7-14,35H,2-6,15-24H2,1H3,(H,31,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128669
PNG
(1-(4-Bromo-benzyl)-4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Br)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23BrN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128630
PNG
(1-Benzyl-4-[4-(3-methyl-butoxy)-benzenesulfonyl]-p...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-19(2)12-17-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)13-15-26(16-14-24)18-20-6-4-3-5-7-20/h3-11,19,28H,12-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128674
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxy-1-...)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O5S/c1-22-12-10-19(11-13-22,18(23)21-24)28(25,26)17-8-6-16(7-9-17)27-15-4-2-14(20)3-5-15/h2-9,24H,10-13H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128657
PNG
(1-(3-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-6-8-19(9-7-17)30(26,27)21(20(24)22-25)10-12-23(13-11-21)15-16-4-3-5-18(14-16)29-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50128641
PNG
(1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccn2)CC1)C(=O)NO
Show InChI InChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128637
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(4-methyl-benzyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(C)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-16-3-5-17(6-4-16)15-23-13-11-21(12-14-23,20(24)22-25)29(26,27)19-9-7-18(28-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128640
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-[3-(2-morpholin-4-y...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1)C(=O)NO
Show InChI InChI=1S/C29H41N3O7S/c1-2-3-18-38-25-7-9-27(10-8-25)40(35,36)29(28(33)30-34)11-13-32(14-12-29)23-24-5-4-6-26(22-24)39-21-17-31-15-19-37-20-16-31/h4-10,22,34H,2-3,11-21,23H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128638
PNG
(1-(4-methoxyphenethyl)-N-hydroxy-4-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H28N2O6S/c1-29-18-5-3-17(4-6-18)11-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-9-7-19(30-2)8-10-20/h3-10,26H,11-16H2,1-2H3,(H,23,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128671
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-p...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-2-3-18-31-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)17-19-32-20-7-5-4-6-8-20/h4-12,28H,2-3,13-19H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128650
PNG
(1-Biphenyl-4-ylmethyl-4-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C26H28N2O5S/c1-33-23-11-13-24(14-12-23)34(31,32)26(25(29)27-30)15-17-28(18-16-26)19-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,30H,15-19H2,1H3,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128643
PNG
(1-(4-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OC)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-17-32-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)18-19-5-7-20(31-2)8-6-19/h5-12,28H,3-4,13-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128670
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-N-hydroxy-4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C27H37N3O6S/c1-35-23-9-11-25(12-10-23)37(33,34)27(26(31)28-32)13-17-30(18-14-27)21-22-5-7-24(8-6-22)36-20-19-29-15-3-2-4-16-29/h5-12,32H,2-4,13-21H2,1H3,(H,28,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128676
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-7-9-19(10-8-17)30(26,27)21(20(24)22-25)11-13-23(14-12-21)15-16-29-18-5-3-2-4-6-18/h2-10,25H,11-16H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128670
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-N-hydroxy-4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C27H37N3O6S/c1-35-23-9-11-25(12-10-23)37(33,34)27(26(31)28-32)13-17-30(18-14-27)21-22-5-7-24(8-6-22)36-20-19-29-15-3-2-4-16-29/h5-12,32H,2-4,13-21H2,1H3,(H,28,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128642
PNG
(1-(4-(thiophen-2-yl)benzyl)-N-hydroxy-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2cccs2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S2/c1-31-20-8-10-21(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-4-6-19(7-5-18)22-3-2-16-32-22/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128673
PNG
(1-(3-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-16-32-20-8-10-22(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)18-19-6-5-7-21(17-19)31-2/h5-11,17,28H,3-4,12-16,18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128667
PNG
(1-Benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-2-3-17-30-20-9-11-21(12-10-20)31(28,29)23(22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,2-3,13-18H2,1H3,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128644
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O6S/c1-29-18-8-10-20(11-9-18)31(27,28)22(21(25)23-26)12-15-24(16-13-22)14-5-17-30-19-6-3-2-4-7-19/h2-4,6-11,26H,5,12-17H2,1H3,(H,23,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128630
PNG
(1-Benzyl-4-[4-(3-methyl-butoxy)-benzenesulfonyl]-p...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-19(2)12-17-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)13-15-26(16-14-24)18-20-6-4-3-5-7-20/h3-11,19,28H,12-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128671
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-p...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-2-3-18-31-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)17-19-32-20-7-5-4-6-8-20/h4-12,28H,2-3,13-19H2,1H3,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128664
PNG
(1-Benzyl-4-[4-(1-ethyl-propoxy)-benzenesulfonyl]-p...)
Show SMILES CCC(CC)Oc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-3-20(4-2)31-21-10-12-22(13-11-21)32(29,30)24(23(27)25-28)14-16-26(17-15-24)18-19-8-6-5-7-9-19/h5-13,20,28H,3-4,14-18H2,1-2H3,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128639
PNG
(1-(3,4-dichlorobenzyl)-4-(4-butoxyphenylsulfonyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C23H28Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,2-3,10-14,16H2,1H3,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128633
PNG
(1-(4-fluorobenzyl)-4-(4-butoxyphenylsulfonyl)-N-hy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H29FN2O5S/c1-2-3-16-31-20-8-10-21(11-9-20)32(29,30)23(22(27)25-28)12-14-26(15-13-23)17-18-4-6-19(24)7-5-18/h4-11,28H,2-3,12-17H2,1H3,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128641
PNG
(1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccn2)CC1)C(=O)NO
Show InChI InChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128647
PNG
(4-[4-(4-chloro-benzyloxy)-benzenesulfonyl]-1-(4-me...)
Show SMILES Cc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O5S/c1-20-2-4-21(5-3-20)18-30-16-14-27(15-17-30,26(31)29-32)36(33,34)25-12-10-24(11-13-25)35-19-22-6-8-23(28)9-7-22/h2-13,32H,14-19H2,1H3,(H,29,31)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128647
PNG
(4-[4-(4-chloro-benzyloxy)-benzenesulfonyl]-1-(4-me...)
Show SMILES Cc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O5S/c1-20-2-4-21(5-3-20)18-30-16-14-27(15-17-30,26(31)29-32)36(33,34)25-12-10-24(11-13-25)35-19-22-6-8-23(28)9-7-22/h2-13,32H,14-19H2,1H3,(H,29,31)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128636
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-methyl-but-2-en...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C1([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]1)[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/C18H26N2O5S/c1-14(2)8-11-20-12-9-18(10-13-20,17(21)19-22)26(23,24)16-6-4-15(25-3)5-7-16/h4-8,22H,9-13H2,1-3H3,(H,19,21)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-14


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(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 |r|
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 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128657
PNG
(1-(3-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-6-8-19(9-7-17)30(26,27)21(20(24)22-25)10-12-23(13-11-21)15-16-4-3-5-18(14-16)29-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128646
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-phenethyl-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(24)22-25)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-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 |r|
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 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128597
PNG
((R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(OCCN2CCCCC2)cc1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-24(23(27)25-28,33(29,30)22-12-10-20(31-2)11-13-22)18-19-6-8-21(9-7-19)32-17-16-26-14-4-3-5-15-26/h6-13,28H,3-5,14-18H2,1-2H3,(H,25,27)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128659
PNG
(4-(4-Butoxy-benzenesulfonyl)-tetrahydro-pyran-4-ca...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C16H23NO6S/c1-2-3-10-23-13-4-6-14(7-5-13)24(20,21)16(15(18)17-19)8-11-22-12-9-16/h4-7,19H,2-3,8-12H2,1H3,(H,17,18)
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n/an/a 9.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128665
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-methyl-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-3-4-13-24-14-5-7-15(8-6-14)25(22,23)17(16(20)18-21)9-11-19(2)12-10-17/h5-8,21H,3-4,9-13H2,1-2H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128652
PNG
(1-Benzyl-4-(4-methoxy-benzenesulfonyl)-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H24N2O5S/c1-27-17-7-9-18(10-8-17)28(25,26)20(19(23)21-24)11-13-22(14-12-20)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128669
PNG
(1-(4-Bromo-benzyl)-4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Br)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23BrN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128642
PNG
(1-(4-(thiophen-2-yl)benzyl)-N-hydroxy-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2cccs2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S2/c1-31-20-8-10-21(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-4-6-19(7-5-18)22-3-2-16-32-22/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128632
PNG
(1-(4-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-5-3-16(4-6-17)15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(29-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128650
PNG
(1-Biphenyl-4-ylmethyl-4-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C26H28N2O5S/c1-33-23-11-13-24(14-12-23)34(31,32)26(25(29)27-30)15-17-28(18-16-26)19-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,30H,15-19H2,1H3,(H,27,29)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128664
PNG
(1-Benzyl-4-[4-(1-ethyl-propoxy)-benzenesulfonyl]-p...)
Show SMILES CCC(CC)Oc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-3-20(4-2)31-21-10-12-22(13-11-21)32(29,30)24(23(27)25-28)14-16-26(17-15-24)18-19-8-6-5-7-9-19/h5-13,20,28H,3-4,14-18H2,1-2H3,(H,25,27)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial 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 |r|
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 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128637
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(4-methyl-benzyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(C)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-16-3-5-17(6-4-16)15-23-13-11-21(12-14-23,20(24)22-25)29(26,27)19-9-7-18(28-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128633
PNG
(1-(4-fluorobenzyl)-4-(4-butoxyphenylsulfonyl)-N-hy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H29FN2O5S/c1-2-3-16-31-20-8-10-21(11-9-20)32(29,30)23(22(27)25-28)12-14-26(15-13-23)17-18-4-6-19(24)7-5-18/h4-11,28H,2-3,12-17H2,1H3,(H,25,27)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128639
PNG
(1-(3,4-dichlorobenzyl)-4-(4-butoxyphenylsulfonyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C23H28Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,2-3,10-14,16H2,1H3,(H,26,28)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128676
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-7-9-19(10-8-17)30(26,27)21(20(24)22-25)11-13-23(14-12-21)15-16-29-18-5-3-2-4-6-18/h2-10,25H,11-16H2,1H3,(H,22,24)
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n/an/a 26n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
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n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
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n/an/a 29n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128662
PNG
(1-Ethyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C15H22N2O5S/c1-3-17-10-8-15(9-11-17,14(18)16-19)23(20,21)13-6-4-12(22-2)5-7-13/h4-7,19H,3,8-11H2,1-2H3,(H,16,18)
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n/an/a 33n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128638
PNG
(1-(4-methoxyphenethyl)-N-hydroxy-4-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H28N2O6S/c1-29-18-5-3-17(4-6-18)11-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-9-7-19(30-2)8-10-20/h3-10,26H,11-16H2,1-2H3,(H,23,25)
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n/an/a 34n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128675
PNG
(1-Isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)C)C(=O)NO
Show InChI InChI=1S/C16H24N2O5S/c1-12(2)18-10-8-16(9-11-18,15(19)17-20)24(21,22)14-6-4-13(23-3)5-7-14/h4-7,12,20H,8-11H2,1-3H3,(H,17,19)
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n/an/a 34n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128653
PNG
(1-Butyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H26N2O5S/c1-3-4-11-19-12-9-17(10-13-19,16(20)18-21)25(22,23)15-7-5-14(24-2)6-8-15/h5-8,21H,3-4,9-13H2,1-2H3,(H,18,20)
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n/an/a 38n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128636
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-methyl-but-2-en...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C1([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]1)[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/C18H26N2O5S/c1-14(2)8-11-20-12-9-18(10-13-20,17(21)19-22)26(23,24)16-6-4-15(25-3)5-7-16/h4-8,22H,9-13H2,1-3H3,(H,19,21)
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n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128664
PNG
(1-Benzyl-4-[4-(1-ethyl-propoxy)-benzenesulfonyl]-p...)
Show SMILES CCC(CC)Oc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-3-20(4-2)31-21-10-12-22(13-11-21)32(29,30)24(23(27)25-28)14-16-26(17-15-24)18-19-8-6-5-7-9-19/h5-13,20,28H,3-4,14-18H2,1-2H3,(H,25,27)
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n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme (TACE) at 10 uM


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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n/an/a 40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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n/an/a 40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128635
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-ethyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC)CC1)C(=O)NO
Show InChI InChI=1S/C18H28N2O5S/c1-3-5-14-25-15-6-8-16(9-7-15)26(23,24)18(17(21)19-22)10-12-20(4-2)13-11-18/h6-9,22H,3-5,10-14H2,1-2H3,(H,19,21)
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n/an/a 43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128644
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O6S/c1-29-18-8-10-20(11-9-18)31(27,28)22(21(25)23-26)12-15-24(16-13-22)14-5-17-30-19-6-3-2-4-7-19/h2-4,6-11,26H,5,12-17H2,1H3,(H,23,25)
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n/an/a 44n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128661
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-methyl-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C14H20N2O5S/c1-16-9-7-14(8-10-16,13(17)15-18)22(19,20)12-5-3-11(21-2)4-6-12/h3-6,18H,7-10H2,1-2H3,(H,15,17)
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n/an/a 44n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128646
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-phenethyl-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(24)22-25)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)
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n/an/a 45n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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n/an/a 55n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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n/an/a 115n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
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n/an/a 138n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128677
PNG
(1-tert-Butyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)(C)C)C(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-16(2,3)19-11-9-17(10-12-19,15(20)18-21)25(22,23)14-7-5-13(24-4)6-8-14/h5-8,21H,9-12H2,1-4H3,(H,18,20)
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n/an/a 148n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128667
PNG
(1-Benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-2-3-17-30-20-9-11-21(12-10-20)31(28,29)23(22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,2-3,13-18H2,1H3,(H,24,26)
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n/an/a 154n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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n/an/a 170n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 176n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128659
PNG
(4-(4-Butoxy-benzenesulfonyl)-tetrahydro-pyran-4-ca...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C16H23NO6S/c1-2-3-10-23-13-4-6-14(7-5-13)24(20,21)16(15(18)17-19)8-11-22-12-9-16/h4-7,19H,2-3,8-12H2,1H3,(H,17,18)
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n/an/a 177n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128632
PNG
(1-(4-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-5-3-16(4-6-17)15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(29-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128643
PNG
(1-(4-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OC)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-17-32-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)18-19-5-7-20(31-2)8-6-19/h5-12,28H,3-4,13-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128657
PNG
(1-(3-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-6-8-19(9-7-17)30(26,27)21(20(24)22-25)10-12-23(13-11-21)15-16-4-3-5-18(14-16)29-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128637
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(4-methyl-benzyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(C)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-16-3-5-17(6-4-16)15-23-13-11-21(12-14-23,20(24)22-25)29(26,27)19-9-7-18(28-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128652
PNG
(1-Benzyl-4-(4-methoxy-benzenesulfonyl)-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H24N2O5S/c1-27-17-7-9-18(10-8-17)28(25,26)20(19(23)21-24)11-13-22(14-12-20)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(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 |r|
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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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128597
PNG
((R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(OCCN2CCCCC2)cc1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-24(23(27)25-28,33(29,30)22-12-10-20(31-2)11-13-22)18-19-6-8-21(9-7-19)32-17-16-26-14-4-3-5-15-26/h6-13,28H,3-5,14-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128671
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-p...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-2-3-18-31-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)17-19-32-20-7-5-4-6-8-20/h4-12,28H,2-3,13-19H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128674
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxy-1-...)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O5S/c1-22-12-10-19(11-13-22,18(23)21-24)28(25,26)17-8-6-16(7-9-17)27-15-4-2-14(20)3-5-15/h2-9,24H,10-13H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128673
PNG
(1-(3-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-16-32-20-8-10-22(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)18-19-6-5-7-21(17-19)31-2/h5-11,17,28H,3-4,12-16,18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128642
PNG
(1-(4-(thiophen-2-yl)benzyl)-N-hydroxy-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2cccs2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S2/c1-31-20-8-10-21(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-4-6-19(7-5-18)22-3-2-16-32-22/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128676
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-7-9-19(10-8-17)30(26,27)21(20(24)22-25)11-13-23(14-12-21)15-16-29-18-5-3-2-4-6-18/h2-10,25H,11-16H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128641
PNG
(1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccn2)CC1)C(=O)NO
Show InChI InChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128668
PNG
(1-Butyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-p...)
Show SMILES CCCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-3-14-25-15-12-22(13-16-25,21(26)24-27)31(28,29)20-10-8-19(9-11-20)30-18-6-4-17(23)5-7-18/h4-11,27H,2-3,12-16H2,1H3,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128662
PNG
(1-Ethyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C15H22N2O5S/c1-3-17-10-8-15(9-11-17,14(18)16-19)23(20,21)13-6-4-12(22-2)5-7-13/h4-7,19H,3,8-11H2,1-2H3,(H,16,18)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128675
PNG
(1-Isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)C)C(=O)NO
Show InChI InChI=1S/C16H24N2O5S/c1-12(2)18-10-8-16(9-11-18,15(19)17-20)24(21,22)14-6-4-13(23-3)5-7-14/h4-7,12,20H,8-11H2,1-3H3,(H,17,19)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128670
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-N-hydroxy-4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C27H37N3O6S/c1-35-23-9-11-25(12-10-23)37(33,34)27(26(31)28-32)13-17-30(18-14-27)21-22-5-7-24(8-6-22)36-20-19-29-15-3-2-4-16-29/h5-12,32H,2-4,13-21H2,1H3,(H,28,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128670
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-N-hydroxy-4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C27H37N3O6S/c1-35-23-9-11-25(12-10-23)37(33,34)27(26(31)28-32)13-17-30(18-14-27)21-22-5-7-24(8-6-22)36-20-19-29-15-3-2-4-16-29/h5-12,32H,2-4,13-21H2,1H3,(H,28,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128651
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-1-ethyl-N-hy...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-2-23-13-11-20(12-14-23,19(24)22-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-15(21)4-6-16/h3-10,25H,2,11-14H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128647
PNG
(4-[4-(4-chloro-benzyloxy)-benzenesulfonyl]-1-(4-me...)
Show SMILES Cc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O5S/c1-20-2-4-21(5-3-20)18-30-16-14-27(15-17-30,26(31)29-32)36(33,34)25-12-10-24(11-13-25)35-19-22-6-8-23(28)9-7-22/h2-13,32H,14-19H2,1H3,(H,29,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128641
PNG
(1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccn2)CC1)C(=O)NO
Show InChI InChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128653
PNG
(1-Butyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H26N2O5S/c1-3-4-11-19-12-9-17(10-13-19,16(20)18-21)25(22,23)15-7-5-14(24-2)6-8-15/h5-8,21H,3-4,9-13H2,1-2H3,(H,18,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128646
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-phenethyl-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(24)22-25)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128661
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-methyl-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C14H20N2O5S/c1-16-9-7-14(8-10-16,13(17)15-18)22(19,20)12-5-3-11(21-2)4-6-12/h3-6,18H,7-10H2,1-2H3,(H,15,17)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128649
PNG
(1-(4-methoxybenzyl)-4-(4-(4-chlorophenoxy)phenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128649
PNG
(1-(4-methoxybenzyl)-4-(4-(4-chlorophenoxy)phenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C26H27ClN2O6S/c1-34-21-6-2-19(3-7-21)18-29-16-14-26(15-17-29,25(30)28-31)36(32,33)24-12-10-23(11-13-24)35-22-8-4-20(27)5-9-22/h2-13,31H,14-18H2,1H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128652
PNG
(1-Benzyl-4-(4-methoxy-benzenesulfonyl)-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H24N2O5S/c1-27-17-7-9-18(10-8-17)28(25,26)20(19(23)21-24)11-13-22(14-12-20)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128637
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(4-methyl-benzyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(C)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-16-3-5-17(6-4-16)15-23-13-11-21(12-14-23,20(24)22-25)29(26,27)19-9-7-18(28-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128640
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-[3-(2-morpholin-4-y...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1)C(=O)NO
Show InChI InChI=1S/C29H41N3O7S/c1-2-3-18-38-25-7-9-27(10-8-25)40(35,36)29(28(33)30-34)11-13-32(14-12-29)23-24-5-4-6-26(22-24)39-21-17-31-15-19-37-20-16-31/h4-10,22,34H,2-3,11-21,23H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128657
PNG
(1-(3-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-6-8-19(9-7-17)30(26,27)21(20(24)22-25)10-12-23(13-11-21)15-16-4-3-5-18(14-16)29-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128642
PNG
(1-(4-(thiophen-2-yl)benzyl)-N-hydroxy-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2cccs2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S2/c1-31-20-8-10-21(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-4-6-19(7-5-18)22-3-2-16-32-22/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128630
PNG
(1-Benzyl-4-[4-(3-methyl-butoxy)-benzenesulfonyl]-p...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-19(2)12-17-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)13-15-26(16-14-24)18-20-6-4-3-5-7-20/h3-11,19,28H,12-18H2,1-2H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128645
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-4-(4-butoxy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C30H43N3O6S/c1-2-3-22-38-27-11-13-28(14-12-27)40(36,37)30(29(34)31-35)15-19-33(20-16-30)24-25-7-9-26(10-8-25)39-23-21-32-17-5-4-6-18-32/h7-14,35H,2-6,15-24H2,1H3,(H,31,34)
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n/an/a 581n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128665
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-methyl-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-3-4-13-24-14-5-7-15(8-6-14)25(22,23)17(16(20)18-21)9-11-19(2)12-10-17/h5-8,21H,3-4,9-13H2,1-2H3,(H,18,20)
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n/an/a 594n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128669
PNG
(1-(4-Bromo-benzyl)-4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Br)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23BrN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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n/an/a 598n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128650
PNG
(1-Biphenyl-4-ylmethyl-4-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C26H28N2O5S/c1-33-23-11-13-24(14-12-23)34(31,32)26(25(29)27-30)15-17-28(18-16-26)19-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,30H,15-19H2,1H3,(H,27,29)
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n/an/a 610n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128676
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-7-9-19(10-8-17)30(26,27)21(20(24)22-25)11-13-23(14-12-21)15-16-29-18-5-3-2-4-6-18/h2-10,25H,11-16H2,1H3,(H,22,24)
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n/an/a 629n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
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n/an/a 631n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128632
PNG
(1-(4-methoxybenzyl)-N-hydroxy-4-(4-methoxyphenylsu...)
Show SMILES COc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H26N2O6S/c1-28-17-5-3-16(4-6-17)15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(29-2)8-10-19/h3-10,25H,11-15H2,1-2H3,(H,22,24)
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n/an/a 642n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128677
PNG
(1-tert-Butyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)(C)C)C(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-16(2,3)19-11-9-17(10-12-19,15(20)18-21)25(22,23)14-7-5-13(24-4)6-8-14/h5-8,21H,9-12H2,1-4H3,(H,18,20)
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n/an/a 649n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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n/an/a 656n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128638
PNG
(1-(4-methoxyphenethyl)-N-hydroxy-4-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H28N2O6S/c1-29-18-5-3-17(4-6-18)11-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-9-7-19(30-2)8-10-20/h3-10,26H,11-16H2,1-2H3,(H,23,25)
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n/an/a 662n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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n/an/a 801n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128656
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypip...)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22)
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n/an/a 848n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
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n/an/a 880n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50128648
PNG
(1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c26-20-6-8-21(9-7-20)33-22-10-12-23(13-11-22)34(31,32)25(24(29)27-30)14-16-28(17-15-25)18-19-4-2-1-3-5-19/h1-13,30H,14-18H2,(H,27,29)
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n/an/a 925n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128668
PNG
(1-Butyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-p...)
Show SMILES CCCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-3-14-25-15-12-22(13-16-25,21(26)24-27)31(28,29)20-10-8-19(9-11-20)30-18-6-4-17(23)5-7-18/h4-11,27H,2-3,12-16H2,1H3,(H,24,26)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128644
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O6S/c1-29-18-8-10-20(11-9-18)31(27,28)22(21(25)23-26)12-15-24(16-13-22)14-5-17-30-19-6-3-2-4-7-19/h2-4,6-11,26H,5,12-17H2,1H3,(H,23,25)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128656
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypip...)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128646
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-phenethyl-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-18-7-9-19(10-8-18)29(26,27)21(20(24)22-25)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128650
PNG
(1-Biphenyl-4-ylmethyl-4-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(cc2)-c2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C26H28N2O5S/c1-33-23-11-13-24(14-12-23)34(31,32)26(25(29)27-30)15-17-28(18-16-26)19-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,30H,15-19H2,1H3,(H,27,29)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128659
PNG
(4-(4-Butoxy-benzenesulfonyl)-tetrahydro-pyran-4-ca...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C16H23NO6S/c1-2-3-10-23-13-4-6-14(7-5-13)24(20,21)16(15(18)17-19)8-11-22-12-9-16/h4-7,19H,2-3,8-12H2,1H3,(H,17,18)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128636
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-methyl-but-2-en...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C1([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]1)[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/C18H26N2O5S/c1-14(2)8-11-20-12-9-18(10-13-20,17(21)19-22)26(23,24)16-6-4-15(25-3)5-7-16/h4-8,22H,9-13H2,1-3H3,(H,19,21)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128674
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxy-1-...)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O5S/c1-22-12-10-19(11-13-22,18(23)21-24)28(25,26)17-8-6-16(7-9-17)27-15-4-2-14(20)3-5-15/h2-9,24H,10-13H2,1H3,(H,21,23)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128673
PNG
(1-(3-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OC)c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-16-32-20-8-10-22(11-9-20)33(29,30)24(23(27)25-28)12-14-26(15-13-24)18-19-6-5-7-21(17-19)31-2/h5-11,17,28H,3-4,12-16,18H2,1-2H3,(H,25,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128651
PNG
(4-(4-(4-chlorophenoxy)phenylsulfonyl)-1-ethyl-N-hy...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H23ClN2O5S/c1-2-23-13-11-20(12-14-23,19(24)22-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-15(21)4-6-16/h3-10,25H,2,11-14H2,1H3,(H,22,24)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128645
PNG
(1-(4-(2-(piperidin-1-yl)ethoxy)benzyl)-4-(4-butoxy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OCCN3CCCCC3)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C30H43N3O6S/c1-2-3-22-38-27-11-13-28(14-12-27)40(36,37)30(29(34)31-35)15-19-33(20-16-30)24-25-7-9-26(10-8-25)39-23-21-32-17-5-4-6-18-32/h7-14,35H,2-6,15-24H2,1H3,(H,31,34)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128640
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-[3-(2-morpholin-4-y...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1)C(=O)NO
Show InChI InChI=1S/C29H41N3O7S/c1-2-3-18-38-25-7-9-27(10-8-25)40(35,36)29(28(33)30-34)11-13-32(14-12-29)23-24-5-4-6-26(22-24)39-21-17-31-15-19-37-20-16-31/h4-10,22,34H,2-3,11-21,23H2,1H3,(H,30,33)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128667
PNG
(1-Benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-2-3-17-30-20-9-11-21(12-10-20)31(28,29)23(22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,2-3,13-18H2,1H3,(H,24,26)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128630
PNG
(1-Benzyl-4-[4-(3-methyl-butoxy)-benzenesulfonyl]-p...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-19(2)12-17-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)13-15-26(16-14-24)18-20-6-4-3-5-7-20/h3-11,19,28H,12-18H2,1-2H3,(H,25,27)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128643
PNG
(1-(4-methoxybenzyl)-4-(4-butoxyphenylsulfonyl)-N-h...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(OC)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-3-4-17-32-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)18-19-5-7-20(31-2)8-6-19/h5-12,28H,3-4,13-18H2,1-2H3,(H,25,27)
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n/an/a 2.61E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
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n/an/a 2.64E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128671
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-p...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-2-3-18-31-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)17-19-32-20-7-5-4-6-8-20/h4-12,28H,2-3,13-19H2,1H3,(H,25,27)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128664
PNG
(1-Benzyl-4-[4-(1-ethyl-propoxy)-benzenesulfonyl]-p...)
Show SMILES CCC(CC)Oc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O5S/c1-3-20(4-2)31-21-10-12-22(13-11-21)32(29,30)24(23(27)25-28)14-16-26(17-15-24)18-19-8-6-5-7-9-19/h5-13,20,28H,3-4,14-18H2,1-2H3,(H,25,27)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128665
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-methyl-piperidine-4...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-3-4-13-24-14-5-7-15(8-6-14)25(22,23)17(16(20)18-21)9-11-19(2)12-10-17/h5-8,21H,3-4,9-13H2,1-2H3,(H,18,20)
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n/an/a 3.42E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128639
PNG
(1-(3,4-dichlorobenzyl)-4-(4-butoxyphenylsulfonyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C23H28Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,2-3,10-14,16H2,1H3,(H,26,28)
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n/an/a 3.67E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128662
PNG
(1-Ethyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C15H22N2O5S/c1-3-17-10-8-15(9-11-17,14(18)16-19)23(20,21)13-6-4-12(22-2)5-7-13/h4-7,19H,3,8-11H2,1-2H3,(H,16,18)
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n/an/a 3.68E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
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n/an/a 3.79E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128675
PNG
(1-Isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)C)C(=O)NO
Show InChI InChI=1S/C16H24N2O5S/c1-12(2)18-10-8-16(9-11-18,15(19)17-20)24(21,22)14-6-4-13(23-3)5-7-14/h4-7,12,20H,8-11H2,1-3H3,(H,17,19)
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n/an/a 4.44E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128633
PNG
(1-(4-fluorobenzyl)-4-(4-butoxyphenylsulfonyl)-N-hy...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H29FN2O5S/c1-2-3-16-31-20-8-10-21(11-9-20)32(29,30)23(22(27)25-28)12-14-26(15-13-23)17-18-4-6-19(24)7-5-18/h4-11,28H,2-3,12-17H2,1H3,(H,25,27)
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n/an/a 4.73E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128647
PNG
(4-[4-(4-chloro-benzyloxy)-benzenesulfonyl]-1-(4-me...)
Show SMILES Cc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C27H29ClN2O5S/c1-20-2-4-21(5-3-20)18-30-16-14-27(15-17-30,26(31)29-32)36(33,34)25-12-10-24(11-13-25)35-19-22-6-8-23(28)9-7-22/h2-13,32H,14-19H2,1H3,(H,29,31)
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n/an/a 4.75E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128661
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-methyl-piperidine-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(C)CC1)C(=O)NO
Show InChI InChI=1S/C14H20N2O5S/c1-16-9-7-14(8-10-16,13(17)15-18)22(19,20)12-5-3-11(21-2)4-6-12/h3-6,18H,7-10H2,1-2H3,(H,15,17)
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n/an/a 5.11E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128635
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-ethyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC)CC1)C(=O)NO
Show InChI InChI=1S/C18H28N2O5S/c1-3-5-14-25-15-6-8-16(9-7-15)26(23,24)18(17(21)19-22)10-12-20(4-2)13-11-18/h6-9,22H,3-5,10-14H2,1-2H3,(H,19,21)
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n/an/a 7.06E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%