BindingDB logo
myBDB logout

BDBM50128631 4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-piperidine-4-carboxylic acid hydroxyamide::4-(4-butoxyphenylsulfonyl)-N-hydroxy-1-(3-phenoxypropyl)piperidine-4-carboxamide::CHEMBL78611

SMILES: CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO

InChI Key: InChIKey=WWVKBGIBCFSFOJ-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 = 50128631   
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))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.79E+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
ADAM17


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 631n/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
Collagenase


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Collagenase


(Homo sapiens (Human))
BDBM50128631
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-(3-phenoxy-propyl)-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCOc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C25H34N2O6S/c1-2-3-19-32-22-10-12-23(13-11-22)34(30,31)25(24(28)26-29)14-17-27(18-15-25)16-7-20-33-21-8-5-4-6-9-21/h4-6,8-13,29H,2-3,7,14-20H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/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