BindingDB logo
myBDB logout

null

SMILES: CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO

InChI Key: InChIKey=WBIKMXRYXWFRCE-UHFFFAOYSA-N

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 = 50343051   
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))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair