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BDBM50128672 1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide::1-(3,4-dichlorobenzyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide::CHEMBL78962

SMILES: COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO

InChI Key: InChIKey=NPFGSGCFKYSLPI-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 = 50128672   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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n/an/a 6n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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n/an/a 115n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128672
PNG
(1-(3,4-Dichloro-benzyl)-4-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
Show InChI InChI=1S/C20H22Cl2N2O5S/c1-29-15-3-5-16(6-4-15)30(27,28)20(19(25)23-26)8-10-24(11-9-20)13-14-2-7-17(21)18(22)12-14/h2-7,12,26H,8-11,13H2,1H3,(H,23,25)
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n/an/a 450n/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