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24 similar compounds to monomer 50082556

Compile data set for download or QSAR
Wt: 398.4
BDBM23498
Wt: 436.5
BDBM50082535
Wt: 360.4
BDBM50082537
Wt: 374.4
BDBM50082545
Wt: 437.5
BDBM50082546
Wt: 402.5
BDBM50082548
Wt: 392.4
BDBM50082554
Wt: 512.5
BDBM50106025
Wt: 423.5
BDBM50106026
Wt: 398.4
BDBM50171543
Wt: 413.5
BDBM50180995
Wt: 427.5
BDBM50180996
Wt: 400.5
BDBM50180999
Wt: 384.4
BDBM50181002
Wt: 402.5
BDBM50181003
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 92 hits for monomerid = 23498,50082535,50082537,50082545,50082546,50082548,50082554,50106025,50106026,50171543,50180995,50180996,50180999,50181002,50181003   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADAM17


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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Article
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n/an/a 8.40n/an/an/an/a7.422



Wyeth Research



Assay Description
Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 6.60n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 4.70n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 26n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 12n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 3n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 26n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 100n/an/an/an/a7.537



Wyeth Research



Assay Description
The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 8n/an/an/an/a7.422



Wyeth Research



Assay Description
Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...


Bioorg Med Chem 15: 6170-81 (2007)


Article DOI: 10.1016/j.bmc.2007.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2F3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 4.70n/an/an/an/a7.422



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem 15: 6170-81 (2007)


Article DOI: 10.1016/j.bmc.2007.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2F3N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 2.40n/an/an/an/an/a25



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem 15: 6170-81 (2007)


Article DOI: 10.1016/j.bmc.2007.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2F3N
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50106026
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-3-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(10-11-27-18)28(24,25)15-7-5-13(6-8-15)26-14-4-3-9-19-12-14/h3-9,12,16,23H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit the release of tumor necrosis factor -alpha (TNF-alpha) in THP-1 cellular assay.


Bioorg Med Chem Lett 11: 2907-10 (2001)


Article DOI: 10.1016/s0960-894x(01)00603-5
BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metallopeptidase 9


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metallopeptidase 1


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metallopeptidase 13


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 71n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50106025
PNG
((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...)
Show SMILES COc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc(OC)c1OC
Show InChI InChI=1S/C22H28N2O8S2/c1-22(2)20(21(25)23-26)24(10-11-33-22)34(27,28)16-8-6-14(7-9-16)32-15-12-17(29-3)19(31-5)18(13-15)30-4/h6-9,12-13,20,26H,10-11H2,1-5H3,(H,23,25)/t20-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2907-10 (2001)


Article DOI: 10.1016/s0960-894x(01)00603-5
BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50106026
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-3-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(10-11-27-18)28(24,25)15-7-5-13(6-8-15)26-14-4-3-9-19-12-14/h3-9,12,16,23H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2907-10 (2001)


Article DOI: 10.1016/s0960-894x(01)00603-5
BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106025
PNG
((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...)
Show SMILES COc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc(OC)c1OC
Show InChI InChI=1S/C22H28N2O8S2/c1-22(2)20(21(25)23-26)24(10-11-33-22)34(27,28)16-8-6-14(7-9-16)32-15-12-17(29-3)19(31-5)18(13-15)30-4/h6-9,12-13,20,26H,10-11H2,1-5H3,(H,23,25)/t20-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2907-10 (2001)


Article DOI: 10.1016/s0960-894x(01)00603-5
BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50106025
PNG
((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...)
Show SMILES COc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc(OC)c1OC
Show InChI InChI=1S/C22H28N2O8S2/c1-22(2)20(21(25)23-26)24(10-11-33-22)34(27,28)16-8-6-14(7-9-16)32-15-12-17(29-3)19(31-5)18(13-15)30-4/h6-9,12-13,20,26H,10-11H2,1-5H3,(H,23,25)/t20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2907-10 (2001)


Article DOI: 10.1016/s0960-894x(01)00603-5
BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50106026
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-3-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(10-11-27-18)28(24,25)15-7-5-13(6-8-15)26-14-4-3-9-19-12-14/h3-9,12,16,23H,10-11H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.0480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2907-10 (2001)


Article DOI: 10.1016/s0960-894x(01)00603-5
BindingDB Entry DOI: 10.7270/Q2C828MX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metallopeptidase 1


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metallopeptidase 13


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay


Bioorg Med Chem Lett 15: 4345-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.072
BindingDB Entry DOI: 10.7270/Q2WH2PHM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50180995
PNG
((S)-4-(4-(4-aminobut-2-ynyloxy)phenylsulfonyl)-N-h...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCN)cc1
Show InChI InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180996
PNG
((S)-4-(4-(5-aminopent-2-ynyloxy)phenylsulfonyl)-N-...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCCN)cc1
Show InChI InChI=1S/C18H25N3O5S2/c1-18(2)16(17(22)20-23)21(11-13-27-18)28(24,25)15-8-6-14(7-9-15)26-12-5-3-4-10-19/h6-9,16,23H,4,10-13,19H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180999
PNG
((S,E)-4-(4-(but-2-enyloxy)phenylsulfonyl)-N-hydrox...)
Show SMILES C\C=C\COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H24N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h4-9,15,21H,10-12H2,1-3H3,(H,18,20)/b5-4+/t15-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50181002
PNG
((S)-N-hydroxy-2,2-dimethyl-4-(4-(prop-2-ynyloxy)ph...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C16H20N2O5S2/c1-4-10-23-12-5-7-13(8-6-12)25(21,22)18-9-11-24-16(2,3)14(18)15(19)17-20/h1,5-8,14,20H,9-11H2,2-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50181003
PNG
((S)-4-(4-butoxyphenylsulfonyl)-N-hydroxy-2,2-dimet...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H26N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,4-5,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50181002
PNG
((S)-N-hydroxy-2,2-dimethyl-4-(4-(prop-2-ynyloxy)ph...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C16H20N2O5S2/c1-4-10-23-12-5-7-13(8-6-12)25(21,22)18-9-11-24-16(2,3)14(18)15(19)17-20/h1,5-8,14,20H,9-11H2,2-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50181003
PNG
((S)-4-(4-butoxyphenylsulfonyl)-N-hydroxy-2,2-dimet...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H26N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,4-5,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50181003
PNG
((S)-4-(4-butoxyphenylsulfonyl)-N-hydroxy-2,2-dimet...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H26N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,4-5,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50181002
PNG
((S)-N-hydroxy-2,2-dimethyl-4-(4-(prop-2-ynyloxy)ph...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C16H20N2O5S2/c1-4-10-23-12-5-7-13(8-6-12)25(21,22)18-9-11-24-16(2,3)14(18)15(19)17-20/h1,5-8,14,20H,9-11H2,2-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180996
PNG
((S)-4-(4-(5-aminopent-2-ynyloxy)phenylsulfonyl)-N-...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCCN)cc1
Show InChI InChI=1S/C18H25N3O5S2/c1-18(2)16(17(22)20-23)21(11-13-27-18)28(24,25)15-8-6-14(7-9-15)26-12-5-3-4-10-19/h6-9,16,23H,4,10-13,19H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Homo sapiens (Human))
BDBM50180999
PNG
((S,E)-4-(4-(but-2-enyloxy)phenylsulfonyl)-N-hydrox...)
Show SMILES C\C=C\COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H24N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h4-9,15,21H,10-12H2,1-3H3,(H,18,20)/b5-4+/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50180996
PNG
((S)-4-(4-(5-aminopent-2-ynyloxy)phenylsulfonyl)-N-...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCCN)cc1
Show InChI InChI=1S/C18H25N3O5S2/c1-18(2)16(17(22)20-23)21(11-13-27-18)28(24,25)15-8-6-14(7-9-15)26-12-5-3-4-10-19/h6-9,16,23H,4,10-13,19H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50180999
PNG
((S,E)-4-(4-(but-2-enyloxy)phenylsulfonyl)-N-hydrox...)
Show SMILES C\C=C\COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H24N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h4-9,15,21H,10-12H2,1-3H3,(H,18,20)/b5-4+/t15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50180995
PNG
((S)-4-(4-(4-aminobut-2-ynyloxy)phenylsulfonyl)-N-h...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCN)cc1
Show InChI InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50180995
PNG
((S)-4-(4-(4-aminobut-2-ynyloxy)phenylsulfonyl)-N-h...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCN)cc1
Show InChI InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 1605-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.020
BindingDB Entry DOI: 10.7270/Q2GF0T3Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 201n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50171543
PNG
(4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in human whole blood assay


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50082535
PNG
((S)-2,2-Dimethyl-4-(4-phenoxy-benzenesulfonyl)-[1,...)
Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H24N2O5S2/c1-20(2)18(19(23)21-24)22(13-6-14-28-20)29(25,26)17-11-9-16(10-12-17)27-15-7-4-3-5-8-15/h3-5,7-12,18,24H,6,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082545
PNG
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13).


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50082548
PNG
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H26N2O5S2/c1-17(2)15(16(20)18-21)19(11-5-4-6-12-25-17)26(22,23)14-9-7-13(24-3)8-10-14/h7-10,15,21H,4-6,11-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrilysin (matrix metalloprotease-7).


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082535
PNG
((S)-2,2-Dimethyl-4-(4-phenoxy-benzenesulfonyl)-[1,...)
Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H24N2O5S2/c1-20(2)18(19(23)21-24)22(13-6-14-28-20)29(25,26)17-11-9-16(10-12-17)27-15-7-4-3-5-8-15/h3-5,7-12,18,24H,6,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3.


J Med Chem 42: 4547-62 (1999)


Article DOI: 10.1021/jm990330y
BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
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