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BDBM50090346 3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-N-hydroxy-3-[3-(4-methoxy-phenoxy)-phenyl]-propionamide::CHEMBL42104

SMILES: COc1ccc(Oc2cccc(c2)C(CC(=O)NO)S(=O)(=O)c2ccc(OC)c(OC3CCCC3)c2)cc1

InChI Key: InChIKey=OHZWWRAGTGIQOP-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 = 50090346   
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))
BDBM50090346
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-N-h...)
Show SMILES COc1ccc(Oc2cccc(c2)C(CC(=O)NO)S(=O)(=O)c2ccc(OC)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C28H31NO8S/c1-34-20-10-12-22(13-11-20)36-23-9-5-6-19(16-23)27(18-28(30)29-31)38(32,33)24-14-15-25(35-2)26(17-24)37-21-7-3-4-8-21/h5-6,9-17,21,27,31H,3-4,7-8,18H2,1-2H3,(H,29,30)
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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-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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50090346
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-N-h...)
Show SMILES COc1ccc(Oc2cccc(c2)C(CC(=O)NO)S(=O)(=O)c2ccc(OC)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C28H31NO8S/c1-34-20-10-12-22(13-11-20)36-23-9-5-6-19(16-23)27(18-28(30)29-31)38(32,33)24-14-15-25(35-2)26(17-24)37-21-7-3-4-8-21/h5-6,9-17,21,27,31H,3-4,7-8,18H2,1-2H3,(H,29,30)
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n/an/a 49n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090346
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-N-h...)
Show SMILES COc1ccc(Oc2cccc(c2)C(CC(=O)NO)S(=O)(=O)c2ccc(OC)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C28H31NO8S/c1-34-20-10-12-22(13-11-20)36-23-9-5-6-19(16-23)27(18-28(30)29-31)38(32,33)24-14-15-25(35-2)26(17-24)37-21-7-3-4-8-21/h5-6,9-17,21,27,31H,3-4,7-8,18H2,1-2H3,(H,29,30)
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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
Stromelysin-1


(Homo sapiens (Human))
BDBM50090346
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-N-h...)
Show SMILES COc1ccc(Oc2cccc(c2)C(CC(=O)NO)S(=O)(=O)c2ccc(OC)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C28H31NO8S/c1-34-20-10-12-22(13-11-20)36-23-9-5-6-19(16-23)27(18-28(30)29-31)38(32,33)24-14-15-25(35-2)26(17-24)37-21-7-3-4-8-21/h5-6,9-17,21,27,31H,3-4,7-8,18H2,1-2H3,(H,29,30)
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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-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