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BDBM50128655 1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide::1-(4-fluorobenzyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide::CHEMBL309416

SMILES: COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO

InChI Key: InChIKey=HYZDHISHDZBYBQ-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 = 50128655   
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))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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Article
PubMed
n/an/a 250n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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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-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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
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Article
PubMed
n/an/a 656n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50128655
PNG
(1-(4-Fluoro-benzyl)-4-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO
Show InChI InChI=1S/C20H23FN2O5S/c1-28-17-6-8-18(9-7-17)29(26,27)20(19(24)22-25)10-12-23(13-11-20)14-15-2-4-16(21)5-3-15/h2-9,25H,10-14H2,1H3,(H,22,24)
PDB
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Article
PubMed
n/an/a 2n/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