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BDBM50082539 1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxylic acid hydroxyamide::CHEMBL140575::N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO

InChI Key: InChIKey=WFVYENBQHIIIQE-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50082539   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50082539
PNG
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
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MMDB

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Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of Her2 sheddase activity in BT474 cell line


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082539
PNG
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
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PubMed
n/an/a 23n/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)


BindingDB Entry DOI: 10.7270/Q2D79C32
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50082539
PNG
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
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n/an/a 0.5n/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)


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


(Homo sapiens (Human))
BDBM50082539
PNG
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
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PubMed
n/an/a 14n/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)


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


(Homo sapiens (Human))
BDBM50082539
PNG
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
PDB
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Reactome pathway
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PC sid
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PubMed
n/an/a 313n/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)


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