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BDBM50128634 1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide::1-cyclooctyl-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide::CHEMBL81763

SMILES: COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO

InChI Key: InChIKey=GJICTISPMDMSQH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50128634   
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-1 (MMP1)


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
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MMDB

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Article
PubMed
n/an/a 2.64E+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
Collagenase


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
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PC sid
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Article
PubMed
n/an/a 29n/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
Collagenase


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 138n/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