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Compile Data Set for Download or QSAR

Found 1154 hits with Last Name = 'cowling' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50128610
PNG
(2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-(2-met...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/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))
BDBM50118985
PNG
(1-(Biphenyl-4-carbonyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H27N3O6S/c1-39-25-15-17-26(18-16-25)40(37,38)33-19-24-9-5-6-10-27(24)32(20-28(33)29(34)31-36)30(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-18,28,36H,19-20H2,1H3,(H,31,34)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50118983
PNG
(1-Benzoyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-te...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C24H23N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h2-14,22,30H,15-16H2,1H3,(H,25,28)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106133
PNG
(5-Bromo-2-{[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES CN(c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H28BrClN4O5S/c1-30-11-13-32(14-12-30)17-18-15-19(27)16-24(26(33)29-34)25(18)31(2)38(35,36)23-9-7-22(8-10-23)37-21-5-3-20(28)4-6-21/h3-10,15-16,34H,11-14,17H2,1-2H3,(H,29,33)
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-9.


Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50128610
PNG
(2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-(2-met...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/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))
BDBM50118983
PNG
(1-Benzoyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-te...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C24H23N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h2-14,22,30H,15-16H2,1H3,(H,25,28)
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration required in vitro to inhibit Matrix metalloproteinase-9


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106133
PNG
(5-Bromo-2-{[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)
Show SMILES CN(c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H28BrClN4O5S/c1-30-11-13-32(14-12-30)17-18-15-19(27)16-24(26(33)29-34)25(18)31(2)38(35,36)23-9-7-22(8-10-23)37-21-5-3-20(28)4-6-21/h3-10,15-16,34H,11-14,17H2,1-2H3,(H,29,33)
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50118985
PNG
(1-(Biphenyl-4-carbonyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H27N3O6S/c1-39-25-15-17-26(18-16-25)40(37,38)33-19-24-9-5-6-10-27(24)32(20-28(33)29(34)31-36)30(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-18,28,36H,19-20H2,1H3,(H,31,34)
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration required in vitro to inhibit Matrix metalloproteinase-9


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106136
PNG
(2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)
Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)
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n/an/a 0.800n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-13.


Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
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-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))
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


(Homo sapiens (Human))
BDBM50118975
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1
Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(H,23,26)
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration required in vitro to inhibit Matrix metalloproteinase-9


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50118975
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1
Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(H,23,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
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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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-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))
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


(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


(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
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


(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


(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


(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


(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
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


(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))
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 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))
BDBM50106136
PNG
(2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)
Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-9.


Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
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
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


(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


(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


(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)


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


(Homo sapiens (Human))
BDBM50106130
PNG
(CHEMBL100512 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cccc1C(=O)NO
Show InChI InChI=1S/C21H28N4O5S/c1-23-11-13-25(14-12-23)15-16-5-4-6-19(21(26)22-27)20(16)24(2)31(28,29)18-9-7-17(30-3)8-10-18/h4-10,27H,11-15H2,1-3H3,(H,22,26)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-9.


Bioorg Med Chem Lett 11: 2975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2125T64
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126624
PNG
(8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO
Show InChI InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126620
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2cc(ccc12)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C24H19F3N4O5S/c1-36-17-5-7-18(8-6-17)37(34,35)31(14-15-3-2-10-28-12-15)22-19-9-4-16(24(25,26)27)11-21(19)29-13-20(22)23(32)30-33/h2-13,33H,14H2,1H3,(H,30,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126623
PNG
(8-Methoxy-4-[(4-methoxy-benzenesulfonyl)-pyridin-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(OC)cccc12)C(=O)NO
Show InChI InChI=1S/C24H22N4O6S/c1-33-17-8-10-18(11-9-17)35(31,32)28(15-16-5-4-12-25-13-16)23-19-6-3-7-21(34-2)22(19)26-14-20(23)24(29)27-30/h3-14,30H,15H2,1-2H3,(H,27,29)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126626
PNG
(4-{Methyl-[4-(pyridin-4-yloxy)-benzenesulfonyl]-am...)
Show SMILES CN(c1c(cnc2ccccc12)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C22H18N4O5S/c1-26(21-18-4-2-3-5-20(18)24-14-19(21)22(27)25-28)32(29,30)17-8-6-15(7-9-17)31-16-10-12-23-13-11-16/h2-14,28H,1H3,(H,25,27)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126622
PNG
(4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cnc2c(cccc12)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C25H20F3N3O5S/c1-36-17-10-12-18(13-11-17)37(34,35)31(15-16-6-3-2-4-7-16)23-19-8-5-9-21(25(26,27)28)22(19)29-14-20(23)24(32)30-33/h2-14,33H,15H2,1H3,(H,30,32)
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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 metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126612
PNG
(4-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)
Show SMILES CN(c1c(cnc2n(C)nc(C)c12)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClN5O5S/c1-13-19-20(18(22(29)26-30)12-24-21(19)27(2)25-13)28(3)34(31,32)17-10-8-16(9-11-17)33-15-6-4-14(23)5-7-15/h4-12,30H,1-3H3,(H,26,29)
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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 metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103161
PNG
(3-Furan-2-yl-N-hydroxy-2-[(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccco1)C(=O)NO
Show InChI InChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
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n/an/a 1n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103171
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
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n/an/a 1n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit matrix metalloprotease-9.


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103162
PNG
(CHEMBL68542 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H27N3O5S/c1-21-16-26(25-10-9-23-7-3-4-8-24(23)17-25)18-29(31(35)33-36)30(21)34(20-22-6-5-15-32-19-22)40(37,38)28-13-11-27(39-2)12-14-28/h3-19,36H,20H2,1-2H3,(H,33,35)
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n/an/a 1n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126600
PNG
(1,3-Dimethyl-4-{methyl-[4-(pyridin-4-yloxy)-benzen...)
Show SMILES CN(c1c(cnc2n(C)nc(C)c12)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C21H20N6O5S/c1-13-18-19(17(21(28)25-29)12-23-20(18)26(2)24-13)27(3)33(30,31)16-6-4-14(5-7-16)32-15-8-10-22-11-9-15/h4-12,29H,1-3H3,(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 metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126626
PNG
(4-{Methyl-[4-(pyridin-4-yloxy)-benzenesulfonyl]-am...)
Show SMILES CN(c1c(cnc2ccccc12)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C22H18N4O5S/c1-26(21-18-4-2-3-5-20(18)24-14-19(21)22(27)25-28)32(29,30)17-8-6-15(7-9-17)31-16-10-12-23-13-11-16/h2-14,28H,1H3,(H,25,27)
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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 metalloproteinase 9 (MMP-9).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126612
PNG
(4-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)
Show SMILES CN(c1c(cnc2n(C)nc(C)c12)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClN5O5S/c1-13-19-20(18(22(29)26-30)12-24-21(19)27(2)25-13)28(3)34(31,32)17-10-8-16(9-11-17)33-15-6-4-14(23)5-7-15/h4-12,30H,1-3H3,(H,26,29)
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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 metalloproteinase 9 (MMP-9).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50118974
PNG
(1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O
Show InChI InChI=1S/C19H21N3O6S/c1-13(23)21-12-18(19(24)20-25)22(11-14-5-3-4-6-17(14)21)29(26,27)16-9-7-15(28-2)8-10-16/h3-10,18,25H,11-12H2,1-2H3,(H,20,24)
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM35221
PNG
(pyrimidoindolone, 25b)
Show SMILES O=C1C2=NCC3(CCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
Show InChI InChI=1S/C25H27N3O4S/c29-23-21-14-20(9-10-22(21)27-17-25(11-5-12-25)16-26-24(23)27)33(30,31)28-13-4-6-18(28)15-32-19-7-2-1-3-8-19/h1-3,7-10,14,18H,4-6,11-13,15-17H2/t18-/m0/s1
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n/an/a 1.29n/an/an/an/an/a25



Wyeth Research



Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ...


Bioorg Med Chem 17: 7755-68 (2009)


Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S
More data for this
Ligand-Target Pair
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 1.40n/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


(Homo sapiens (Human))
BDBM50118974
PNG
(1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O
Show InChI InChI=1S/C19H21N3O6S/c1-13(23)21-12-18(19(24)20-25)22(11-14-5-3-4-6-17(14)21)29(26,27)16-9-7-15(28-2)8-10-16/h3-10,18,25H,11-12H2,1-2H3,(H,20,24)
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n/an/a 1.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Concentration required in vitro to inhibit Matrix metalloproteinase-9


Bioorg Med Chem Lett 12: 2867-70 (2002)


BindingDB Entry DOI: 10.7270/Q2JS9PSH
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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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
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