BindingDB logo
myBDB logout

BDBM50128666 4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-carboxylic acid hydroxyamide::4-(4-butoxyphenylsulfonyl)-1-butyl-N-hydroxypiperidine-4-carboxamide::CHEMBL420023

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

InChI Key: InChIKey=HUTRBECWDORHKF-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 = 50128666   
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))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 880n/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 3


(Homo sapiens (Human))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/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