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BDBM50128660 4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-piperidine-4-carboxylic acid hydroxyamide::CHEMBL312770::N-hydroxy-4-(4-methoxyphenylsulfonyl)-1-(3-phenylpropyl)piperidine-4-carboxamide

SMILES: COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO

InChI Key: InChIKey=FTWZRZIOCFAVKU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50128660   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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Article
PubMed
n/an/a 1.93E+3n/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))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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Article
PubMed
n/an/a 13n/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))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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PubMed
n/an/a 503n/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))
BDBM50128660
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)
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Article
PubMed
n/an/a 11n/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