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BDBM50074021 3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic acid hydroxyamide::CHEMBL42521

SMILES: COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO

InChI Key: InChIKey=FCCDGLDMUDUABZ-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50074021   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50074021
PNG
(3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
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Article
PubMed
30n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2 (MMP-2), gelatinase-A


J Med Chem 42: 541-4 (1999)


Article DOI: 10.1021/jm980567e
BindingDB Entry DOI: 10.7270/Q2VQ31VC
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50074021
PNG
(3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
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43n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2.


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


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50074021
PNG
(3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
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200n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3), stromelysin-1


J Med Chem 42: 541-4 (1999)


Article DOI: 10.1021/jm980567e
BindingDB Entry DOI: 10.7270/Q2VQ31VC
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50074021
PNG
(3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
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350n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-3.


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


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074021
PNG
(3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
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2.16E+3n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-1.


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


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074021
PNG
(3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
PDB
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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1), fibroblast collagenase.


J Med Chem 42: 541-4 (1999)


Article DOI: 10.1021/jm980567e
BindingDB Entry DOI: 10.7270/Q2VQ31VC
More data for this
Ligand-Target Pair