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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'scotese' and Initial = 'ac'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50074024
PNG
((2S,3R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)[C@H](CCCCc1ccccc1)[C@@H](C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)/t16-,20-/m1/s1
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10n/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))
BDBM50074027
PNG
(3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C20H25NO5S/c1-26-17-11-13-18(14-12-17)27(24,25)19(15-20(22)21-23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19,23H,5-6,9-10,15H2,1H3,(H,21,22)
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20n/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))
BDBM50074023
PNG
(CHEMBL153469 | N-Hydroxy-3-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C17H19NO5S/c1-23-14-7-9-15(10-8-14)24(21,22)16(12-17(19)18-20)11-13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,18,19)
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20n/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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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))
BDBM50074022
PNG
(3-(4-Methoxy-benzenesulfonyl)-3-methyl-7-phenyl-he...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-21(16-20(23)22-24,15-7-6-10-17-8-4-3-5-9-17)28(25,26)19-13-11-18(27-2)12-14-19/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
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50n/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))
BDBM50074028
PNG
(3-(4-Methoxy-benzenesulfonyl)-6-phenyl-hexanoic ac...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C19H23NO5S/c1-25-16-10-12-17(13-11-16)26(23,24)18(14-19(21)20-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,22H,5,8-9,14H2,1H3,(H,20,21)
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50n/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))
BDBM50074026
PNG
(3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-phenyl-he...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)
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60n/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
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))
BDBM50074023
PNG
(CHEMBL153469 | N-Hydroxy-3-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C17H19NO5S/c1-23-14-7-9-15(10-8-14)24(21,22)16(12-17(19)18-20)11-13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,18,19)
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300n/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))
BDBM50074024
PNG
((2S,3R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)[C@H](CCCCc1ccccc1)[C@@H](C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)/t16-,20-/m1/s1
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500n/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))
BDBM50074026
PNG
(3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-phenyl-he...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)
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600n/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))
BDBM50074028
PNG
(3-(4-Methoxy-benzenesulfonyl)-6-phenyl-hexanoic ac...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C19H23NO5S/c1-25-16-10-12-17(13-11-16)26(23,24)18(14-19(21)20-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,22H,5,8-9,14H2,1H3,(H,20,21)
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600n/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))
BDBM50074027
PNG
(3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C20H25NO5S/c1-26-17-11-13-18(14-12-17)27(24,25)19(15-20(22)21-23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19,23H,5-6,9-10,15H2,1H3,(H,21,22)
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700n/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))
BDBM50074022
PNG
(3-(4-Methoxy-benzenesulfonyl)-3-methyl-7-phenyl-he...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-21(16-20(23)22-24,15-7-6-10-17-8-4-3-5-9-17)28(25,26)19-13-11-18(27-2)12-14-19/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
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1.00E+3n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074023
PNG
(CHEMBL153469 | N-Hydroxy-3-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C17H19NO5S/c1-23-14-7-9-15(10-8-14)24(21,22)16(12-17(19)18-20)11-13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,18,19)
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1.00E+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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074026
PNG
(3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-phenyl-he...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)
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2.00E+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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074024
PNG
((2S,3R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)[C@H](CCCCc1ccccc1)[C@@H](C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)/t16-,20-/m1/s1
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2.00E+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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074028
PNG
(3-(4-Methoxy-benzenesulfonyl)-6-phenyl-hexanoic ac...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C19H23NO5S/c1-25-16-10-12-17(13-11-16)26(23,24)18(14-19(21)20-22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,22H,5,8-9,14H2,1H3,(H,20,21)
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2.00E+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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074022
PNG
(3-(4-Methoxy-benzenesulfonyl)-3-methyl-7-phenyl-he...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-21(16-20(23)22-24,15-7-6-10-17-8-4-3-5-9-17)28(25,26)19-13-11-18(27-2)12-14-19/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
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2.00E+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
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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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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074027
PNG
(3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C20H25NO5S/c1-26-17-11-13-18(14-12-17)27(24,25)19(15-20(22)21-23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19,23H,5-6,9-10,15H2,1H3,(H,21,22)
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5.00E+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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50074025
PNG
(3-(3,4-Dimethoxy-benzenesulfonyl)-7-phenyl-heptano...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C21H27NO6S/c1-27-19-13-12-18(14-20(19)28-2)29(25,26)17(15-21(23)22-24)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-14,17,24H,6-7,10-11,15H2,1-2H3,(H,22,23)
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>1.00E+4n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50074025
PNG
(3-(3,4-Dimethoxy-benzenesulfonyl)-7-phenyl-heptano...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C21H27NO6S/c1-27-19-13-12-18(14-20(19)28-2)29(25,26)17(15-21(23)22-24)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-14,17,24H,6-7,10-11,15H2,1-2H3,(H,22,23)
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>1.00E+4n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50074025
PNG
(3-(3,4-Dimethoxy-benzenesulfonyl)-7-phenyl-heptano...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C21H27NO6S/c1-27-19-13-12-18(14-20(19)28-2)29(25,26)17(15-21(23)22-24)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-14,17,24H,6-7,10-11,15H2,1-2H3,(H,22,23)
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>1.00E+4n/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