BindingDB logo
myBDB logout

BDBM50128663 4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmethyl-piperidine-4-carboxylic acid hydroxyamide::CHEMBL312429::N-hydroxy-4-(4-methoxyphenylsulfonyl)-1-(naphthalen-2-ylmethyl)piperidine-4-carboxamide

SMILES: COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO

InChI Key: InChIKey=GNNAXEPAOIUDTH-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 = 50128663   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 368n/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 3


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 170n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128663
PNG
(4-(4-Methoxy-benzenesulfonyl)-1-naphthalen-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc3ccccc3c2)CC1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-31-21-8-10-22(11-9-21)32(29,30)24(23(27)25-28)12-14-26(15-13-24)17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16,28H,12-15,17H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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