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BDBM50187795 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-isonicotinoylpiperidine-4-carboxamide::CHEMBL377317

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO

InChI Key: InChIKey=SFHMNFHDIRPFKM-UHFFFAOYSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50187795   
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
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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n/an/a 583n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP14


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-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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n/an/a 191n/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-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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n/an/a 553n/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))
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 191n/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))
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))
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 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
Disintegrin and metalloproteinase domain-containing protein 17


(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 2.10n/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))
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
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 22n/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
Disintegrin and metalloproteinase domain-containing protein 17


(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 2.60n/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
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 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
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