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PubMed code 11206467

Compile data set for download or QSAR
Found 44 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
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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n/an/a 1n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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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n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096468
PNG
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096463
PNG
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
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n/an/a 5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 6n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096468
PNG
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26)
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n/an/a 6n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
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-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096463
PNG
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
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n/an/a 8n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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n/an/a 13n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
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-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096469
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(22(25)23-26)21(16)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096474
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial 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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n/an/a 24n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096466
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28)
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n/an/a 27n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096475
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-3-chloro-N...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Cl)cccc1C(=O)NO
Show InChI InChI=1S/C21H19ClN2O5S/c1-29-16-10-12-17(13-11-16)30(27,28)24(14-15-6-3-2-4-7-15)20-18(21(25)23-26)8-5-9-19(20)22/h2-13,26H,14H2,1H3,(H,23,25)
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n/an/a 31n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50096468
PNG
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26)
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n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha converting enzyme (TACE)


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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n/an/a 42n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096469
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(22(25)23-26)21(16)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 50n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096470
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-3-(dimethy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1C(=O)NO)N(C)C
Show InChI InChI=1S/C23H25N3O5S/c1-25(2)21-11-7-10-20(23(27)24-28)22(21)26(16-17-8-5-4-6-9-17)32(29,30)19-14-12-18(31-3)13-15-19/h4-15,28H,16H2,1-3H3,(H,24,27)
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n/an/a 64n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(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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n/an/a 81n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha converting enzyme (TACE)


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096469
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(22(25)23-26)21(16)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 115n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096466
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28)
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n/an/a 136n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096474
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 138n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096463
PNG
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
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n/an/a 143n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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n/an/a 202n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096468
PNG
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26)
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n/an/a 207n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096462
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cc(C)ccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-20(22(25)23-26)21(14-16)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 346n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096465
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-21(20(14-16)22(25)23-26)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 353n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096475
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-3-chloro-N...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Cl)cccc1C(=O)NO
Show InChI InChI=1S/C21H19ClN2O5S/c1-29-16-10-12-17(13-11-16)30(27,28)24(14-15-6-3-2-4-7-15)20-18(21(25)23-26)8-5-9-19(20)22/h2-13,26H,14H2,1H3,(H,23,25)
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n/an/a 398n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096473
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 440n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096474
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 520n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096470
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-3-(dimethy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1C(=O)NO)N(C)C
Show InChI InChI=1S/C23H25N3O5S/c1-25(2)21-11-7-10-20(23(27)24-28)22(21)26(16-17-8-5-4-6-9-17)32(29,30)19-14-12-18(31-3)13-15-19/h4-15,28H,16H2,1-3H3,(H,24,27)
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n/an/a 531n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096465
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-21(20(14-16)22(25)23-26)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 553n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096464
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxyb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NO
Show InChI InChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24)
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n/an/a 555n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 597n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096464
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxyb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NO
Show InChI InChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24)
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n/an/a 639n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096464
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxyb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NO
Show InChI InChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24)
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n/an/a 650n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096473
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 717n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096465
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-21(20(14-16)22(25)23-26)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 728n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096462
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cc(C)ccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-20(22(25)23-26)21(14-16)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 884n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096462
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cc(C)ccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-8-13-20(22(25)23-26)21(14-16)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 982n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096473
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


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


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%