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PubMed code 16723229

Compile data set for download or QSAR
Found 108 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
ADAM17


(Homo sapiens (Human))
BDBM50187780
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hyd...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)N(C)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C25H29N3O6S/c1-3-4-18-34-21-10-12-22(13-11-21)35(32,33)19-25(23(29)26-31)14-16-28(17-15-25)24(30)27(2)20-8-6-5-7-9-20/h5-13,31H,14-19H2,1-2H3,(H,26,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM30144
PNG
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187786
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO
Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187792
PNG
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187783
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM30136
PNG
(CHEMBL385821 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCNCC1)C(=O)NO
Show InChI InChI=1S/C17H22N2O5S/c1-2-3-12-24-14-4-6-15(7-5-14)25(22,23)13-17(16(20)19-21)8-10-18-11-9-17/h4-7,18,21H,8-13H2,1H3,(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187779
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...)
Show SMILES CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-4-7-16-31-18-8-10-19(11-9-18)32(29,30)17-22(20(26)23-28)12-14-25(15-13-22)21(27)24(5-2)6-3/h8-11,28H,5-6,12-17H2,1-3H3,(H,23,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM23500
PNG
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187789
PNG
(1-(2-aminobenzoyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1N)C(=O)NO
Show InChI InChI=1S/C24H27N3O6S/c1-2-3-16-33-18-8-10-19(11-9-18)34(31,32)17-24(23(29)26-30)12-14-27(15-13-24)22(28)20-6-4-5-7-21(20)25/h4-11,30H,12-17,25H2,1H3,(H,26,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187790
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...)
Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187784
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187795
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO
Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM30140
PNG
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187794
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187788
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO
Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187781
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...)
Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187796
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-buty...)
Show SMILES CCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O6S/c1-3-5-15-29-17-7-9-18(10-8-17)30(27,28)16-21(20(25)22-26)11-13-23(14-12-21)19(24)6-4-2/h7-10,26H,4,6,11-16H2,1-2H3,(H,22,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187799
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCCCC1)C(=O)NO
Show InChI InChI=1S/C24H32N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h9-12,19,29H,4-8,13-18H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187797
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H24N2O7S2/c1-3-4-13-27-15-5-7-16(8-6-15)29(25,26)14-18(17(21)19-22)9-11-20(12-10-18)28(2,23)24/h5-8,22H,9-14H2,1-2H3,(H,19,21)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187793
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H26N2O7S2/c1-2-3-17-32-19-9-11-20(12-10-19)33(28,29)18-23(22(26)24-27)13-15-25(16-14-23)34(30,31)21-7-5-4-6-8-21/h4-12,27H,13-18H2,1H3,(H,24,26)
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n/an/a 2.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187792
PNG
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)
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n/an/a 3.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187782
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28)
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187798
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hyd...)
Show SMILES CCCCCNC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-3-5-7-14-24-22(28)26-15-12-23(13-16-26,21(27)25-29)18-33(30,31)20-10-8-19(9-11-20)32-17-6-4-2/h8-11,29H,3,5,7,12-18H2,1-2H3,(H,24,28)(H,25,27)
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187787
PNG
(1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,11-17H2,1-2H3,(H,22,24)
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n/an/a 4.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187785
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)
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n/an/a 4.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50187791
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187786
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO
Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187792
PNG
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187791
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187784
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187784
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187789
PNG
(1-(2-aminobenzoyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1N)C(=O)NO
Show InChI InChI=1S/C24H27N3O6S/c1-2-3-16-33-18-8-10-19(11-9-18)34(31,32)17-24(23(29)26-30)12-14-27(15-13-24)22(28)20-6-4-5-7-21(20)25/h4-11,30H,12-17,25H2,1H3,(H,26,29)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187786
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO
Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187781
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...)
Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187792
PNG
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187795
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO
Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28)
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187791
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187796
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-buty...)
Show SMILES CCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O6S/c1-3-5-15-29-17-7-9-18(10-8-17)30(27,28)16-21(20(25)22-26)11-13-23(14-12-21)19(24)6-4-2/h7-10,26H,4,6,11-16H2,1-2H3,(H,22,25)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187789
PNG
(1-(2-aminobenzoyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1N)C(=O)NO
Show InChI InChI=1S/C24H27N3O6S/c1-2-3-16-33-18-8-10-19(11-9-18)34(31,32)17-24(23(29)26-30)12-14-27(15-13-24)22(28)20-6-4-5-7-21(20)25/h4-11,30H,12-17,25H2,1H3,(H,26,29)
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n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187781
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...)
Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)
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n/an/a 44n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187795
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO
Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28)
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n/an/a 46n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187796
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-buty...)
Show SMILES CCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O6S/c1-3-5-15-29-17-7-9-18(10-8-17)30(27,28)16-21(20(25)22-26)11-13-23(14-12-21)19(24)6-4-2/h7-10,26H,4,6,11-16H2,1-2H3,(H,22,25)
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n/an/a 49n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187788
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO
Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27)
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n/an/a 54n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187788
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO
Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27)
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n/an/a 54n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM30144
PNG
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)
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n/an/a 62n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187792
PNG
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)
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n/an/a 65n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187784
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 68n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187782
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28)
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n/an/a 69n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30144
PNG
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)
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n/an/a 69n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187779
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...)
Show SMILES CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-4-7-16-31-18-8-10-19(11-9-18)32(29,30)17-22(20(26)23-28)12-14-25(15-13-22)21(27)24(5-2)6-3/h8-11,28H,5-6,12-17H2,1-3H3,(H,23,26)
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n/an/a 74n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187794
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27)
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n/an/a 77n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187783
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 79n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187789
PNG
(1-(2-aminobenzoyl)-4-((4-(but-2-ynyloxy)phenylsulf...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1N)C(=O)NO
Show InChI InChI=1S/C24H27N3O6S/c1-2-3-16-33-18-8-10-19(11-9-18)34(31,32)17-24(23(29)26-30)12-14-27(15-13-24)22(28)20-6-4-5-7-21(20)25/h4-11,30H,12-17,25H2,1H3,(H,26,29)
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n/an/a 97n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187783
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 111n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187782
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28)
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n/an/a 113n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187794
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27)
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n/an/a 114n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30140
PNG
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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n/an/a 155n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187785
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187795
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO
Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM23500
PNG
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187787
PNG
(1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,11-17H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187786
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO
Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187785
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50187787
PNG
(1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,11-17H2,1-2H3,(H,22,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM30140
PNG
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187779
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...)
Show SMILES CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-4-7-16-31-18-8-10-19(11-9-18)32(29,30)17-22(20(26)23-28)12-14-25(15-13-22)21(27)24(5-2)6-3/h8-11,28H,5-6,12-17H2,1-3H3,(H,23,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM23500
PNG
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM30144
PNG
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187784
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM30144
PNG
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187797
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H24N2O7S2/c1-3-4-13-27-15-5-7-16(8-6-15)29(25,26)14-18(17(21)19-22)9-11-20(12-10-18)28(2,23)24/h5-8,22H,9-14H2,1-2H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187795
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO
Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50187790
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...)
Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM30140
PNG
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187796
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-buty...)
Show SMILES CCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O6S/c1-3-5-15-29-17-7-9-18(10-8-17)30(27,28)16-21(20(25)22-26)11-13-23(14-12-21)19(24)6-4-2/h7-10,26H,4,6,11-16H2,1-2H3,(H,22,25)
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n/an/a 725n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187794
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187782
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28)
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n/an/a 879n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187788
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO
Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27)
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n/an/a 889n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187791
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)
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n/an/a 891n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187783
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 907n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM30140
PNG
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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n/an/a 963n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187788
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO
Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27)
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n/an/a 972n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187790
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...)
Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187781
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...)
Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187783
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM23500
PNG
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187784
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187779
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...)
Show SMILES CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-4-7-16-31-18-8-10-19(11-9-18)32(29,30)17-22(20(26)23-28)12-14-25(15-13-22)21(27)24(5-2)6-3/h8-11,28H,5-6,12-17H2,1-3H3,(H,23,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187782
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28)
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n/an/a 2.08E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50187785
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)
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n/an/a 2.12E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187786
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO
Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187785
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)
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n/an/a 2.74E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187795
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO
Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM30144
PNG
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)
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n/an/a 3.04E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187788
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO
Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27)
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n/an/a 3.32E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187796
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-buty...)
Show SMILES CCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O6S/c1-3-5-15-29-17-7-9-18(10-8-17)30(27,28)16-21(20(25)22-26)11-13-23(14-12-21)19(24)6-4-2/h7-10,26H,4,6,11-16H2,1-2H3,(H,22,25)
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n/an/a 4.15E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM30140
PNG
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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n/an/a 4.67E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187791
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM23500
PNG
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23)
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n/an/a 4.71E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187790
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...)
Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)
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n/an/a 4.85E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187790
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...)
Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)
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n/an/a 5.46E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50187797
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H24N2O7S2/c1-3-4-13-27-15-5-7-16(8-6-15)29(25,26)14-18(17(21)19-22)9-11-20(12-10-18)28(2,23)24/h5-8,22H,9-14H2,1-2H3,(H,19,21)
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n/an/a 5.91E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187782
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28)
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n/an/a 6.27E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187779
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...)
Show SMILES CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-4-7-16-31-18-8-10-19(11-9-18)32(29,30)17-22(20(26)23-28)12-14-25(15-13-22)21(27)24(5-2)6-3/h8-11,28H,5-6,12-17H2,1-3H3,(H,23,26)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187783
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29)
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n/an/a 6.98E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187794
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27)
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n/an/a 7.25E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50187785
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CCCN(C)C)C(=O)NO
Show InChI InChI=1S/C23H33N3O6S/c1-4-5-17-32-19-8-10-20(11-9-19)33(30,31)18-23(22(28)24-29)12-15-26(16-13-23)21(27)7-6-14-25(2)3/h8-11,29H,6-7,12-18H2,1-3H3,(H,24,28)
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n/an/a 7.97E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM23500
PNG
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23)
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n/an/a 8.78E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 3927-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%