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BDBM50128654 1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide::1-Benzyl-4-(4-phenoxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide::1-benzyl-4-(4-(benzyloxy)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide::CHEMBL78369

SMILES: ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=ATFPFLNWBZIBTJ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50128654   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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PubMed
n/an/a 416n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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PubMed
n/an/a 40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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PubMed
n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Article
PubMed
n/an/a 277n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128654
PNG
(1-Benzyl-4-(4-benzyloxy-benzenesulfonyl)-piperidin...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O5S/c29-25(27-30)26(15-17-28(18-16-26)19-21-7-3-1-4-8-21)34(31,32)24-13-11-23(12-14-24)33-20-22-9-5-2-6-10-22/h1-14,30H,15-20H2,(H,27,29)
PDB
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Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair