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BDBM50128658 1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide::1-benzyl-4-(4-(furan-2-yl)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide::CHEMBL311436

SMILES: ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1

InChI Key: InChIKey=JZKQUJKQSKTEON-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 = 50128658   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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PC cid
PC sid
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Article
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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))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
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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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50128658
PNG
(1-Benzyl-4-(4-furan-2-yl-benzenesulfonyl)-piperidi...)
Show SMILES ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C23H24N2O5S/c26-22(24-27)23(12-14-25(15-13-23)17-18-5-2-1-3-6-18)31(28,29)20-10-8-19(9-11-20)21-7-4-16-30-21/h1-11,16,27H,12-15,17H2,(H,24,26)
PDB
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UniProtKB/TrEMBL

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PC sid
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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