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Compile Data Set for Download or QSAR

Found 397 hits with Last Name = 'walter' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50128610
PNG
(2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-(2-met...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)NO
Show InChI InChI=1/C19H27NO5S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)26(23,24)17-8-6-16(25-5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-13


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50128610
PNG
(2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-(2-met...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)NO
Show InChI InChI=1/C19H27NO5S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)26(23,24)17-8-6-16(25-5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-9


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair
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
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))
BDBM50096472
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OCC(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C23H23N3O8S/c1-33-17-10-12-18(13-11-17)35(31,32)26(14-16-6-3-2-4-7-16)22-19(23(28)25-30)8-5-9-20(22)34-15-21(27)24-29/h2-13,29-30H,14-15H2,1H3,(H,24,27)(H,25,28)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 235-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00642-9
BindingDB Entry DOI: 10.7270/Q2TH8N78
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=1/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 inhibition of matrix metalloprotease-13


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair
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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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))
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
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))
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 1n/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))
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))
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


(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
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))
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=1/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
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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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))
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
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))
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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n/an/a 1n/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-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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n/an/a 1n/an/an/an/an/an/a



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))
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


(Homo sapiens (Human))
BDBM50071839
PNG
(4-Benzoyl-1-(4-phenoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES ONC(=O)C1CN(CCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
Show InChI InChI=1/C25H25N3O6S/c29-24(26-31)23-18-27(25(30)19-8-3-1-4-9-19)16-7-17-28(23)35(32,33)22-14-12-21(13-15-22)34-20-10-5-2-6-11-20/h1-6,8-15,23,31H,7,16-18H2,(H,26,29)
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n/an/a 1.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 2657-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00473-9
BindingDB Entry DOI: 10.7270/Q28K79KZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50071839
PNG
(4-Benzoyl-1-(4-phenoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES ONC(=O)C1CN(CCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
Show InChI InChI=1/C25H25N3O6S/c29-24(26-31)23-18-27(25(30)19-8-3-1-4-9-19)16-7-17-28(23)35(32,33)22-14-12-21(13-15-22)34-20-10-5-2-6-11-20/h1-6,8-15,23,31H,7,16-18H2,(H,26,29)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 8: 2657-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00473-9
BindingDB Entry DOI: 10.7270/Q28K79KZ
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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n/an/a 1.40n/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))
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))
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))
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


(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))
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))
BDBM50128616
PNG
(3-(4-Diethylaminomethoxy-phenyl)-2-(4-furan-2-yl-b...)
Show SMILES CCN(CC)COc1ccc(CC(C)(C(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccco2)cc1
Show InChI InChI=1/C25H30N2O6S/c1-4-27(5-2)18-33-21-12-8-19(9-13-21)17-25(3,24(28)26-29)34(30,31)22-14-10-20(11-15-22)23-7-6-16-32-23/h6-16,29H,4-5,17-18H2,1-3H3,(H,26,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-13


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128614
PNG
((R)-2-(4-butoxyphenylsulfonyl)-N-hydroxy-2-methyl-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(OCCN2CCCCC2)cc1)C(=O)NO
Show InChI InChI=1/C27H38N2O6S/c1-3-4-19-34-24-12-14-25(15-13-24)36(32,33)27(2,26(30)28-31)21-22-8-10-23(11-9-22)35-20-18-29-16-6-5-7-17-29/h8-15,31H,3-7,16-21H2,1-2H3,(H,28,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-13


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
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
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
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))
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


(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))
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 2n/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


(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))
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 2n/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))
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))
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))
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
Collagenase


(Homo sapiens (Human))
BDBM50096472
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OCC(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C23H23N3O8S/c1-33-17-10-12-18(13-11-17)35(31,32)26(14-16-6-3-2-4-7-16)22-19(23(28)25-30)8-5-9-20(22)34-15-21(27)24-29/h2-13,29-30H,14-15H2,1H3,(H,24,27)(H,25,28)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 235-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00642-9
BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
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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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


(Homo sapiens (Human))
BDBM50071835
PNG
(4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1/C20H23N3O6S/c1-29-16-8-10-17(11-9-16)30(27,28)23-13-5-12-22(14-18(23)19(24)21-26)20(25)15-6-3-2-4-7-15/h2-4,6-11,18,26H,5,12-14H2,1H3,(H,21,24)
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Wyeth-Ayerst Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 2657-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00473-9
BindingDB Entry DOI: 10.7270/Q28K79KZ
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))
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
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