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BDBM50090354 3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-5-(4-phenoxy-phenyl)-pentanoic acid hydroxyamide::CHEMBL43256

SMILES: COc1ccc(cc1OC1CCCC1)S(=O)(=O)C(CCc1ccc(Oc2ccccc2)cc1)CC(=O)NO

InChI Key: InChIKey=OFWLISQOQVGMBV-UHFFFAOYNA-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 = 50090354   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50090354
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-5-(...)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)C(CCc1ccc(Oc2ccccc2)cc1)CC(=O)NO
Show InChI InChI=1/C29H33NO7S/c1-35-27-18-17-25(19-28(27)37-23-9-5-6-10-23)38(33,34)26(20-29(31)30-32)16-13-21-11-14-24(15-12-21)36-22-7-3-2-4-8-22/h2-4,7-8,11-12,14-15,17-19,23,26,32H,5-6,9-10,13,16,20H2,1H3,(H,30,31)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloproteinase-3


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50090354
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-5-(...)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)C(CCc1ccc(Oc2ccccc2)cc1)CC(=O)NO
Show InChI InChI=1/C29H33NO7S/c1-35-27-18-17-25(19-28(27)37-23-9-5-6-10-23)38(33,34)26(20-29(31)30-32)16-13-21-11-14-24(15-12-21)36-22-7-3-2-4-8-22/h2-4,7-8,11-12,14-15,17-19,23,26,32H,5-6,9-10,13,16,20H2,1H3,(H,30,31)
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Phosphodiesterase 4 inhibitory activity measured against guinea pig macrophage homogenate


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50090354
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-5-(...)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)C(CCc1ccc(Oc2ccccc2)cc1)CC(=O)NO
Show InChI InChI=1/C29H33NO7S/c1-35-27-18-17-25(19-28(27)37-23-9-5-6-10-23)38(33,34)26(20-29(31)30-32)16-13-21-11-14-24(15-12-21)36-22-7-3-2-4-8-22/h2-4,7-8,11-12,14-15,17-19,23,26,32H,5-6,9-10,13,16,20H2,1H3,(H,30,31)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloproteinase-1


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090354
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-5-(...)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)C(CCc1ccc(Oc2ccccc2)cc1)CC(=O)NO
Show InChI InChI=1/C29H33NO7S/c1-35-27-18-17-25(19-28(27)37-23-9-5-6-10-23)38(33,34)26(20-29(31)30-32)16-13-21-11-14-24(15-12-21)36-22-7-3-2-4-8-22/h2-4,7-8,11-12,14-15,17-19,23,26,32H,5-6,9-10,13,16,20H2,1H3,(H,30,31)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloproteinase-2


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair