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Compile Data Set for Download or QSAR

Found 658 hits with Last Name = 'burns' and Initial = 'cj'   
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))
BDBM50090364
PNG
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21)
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0.800n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090350
PNG
(4-Ethyl-3-(4-methoxy-benzenesulfonyl)-octanoic aci...)
Show SMILES CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H27NO5S/c1-4-6-7-13(5-2)16(12-17(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,18,19)
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4n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090372
PNG
(3-(4-Methoxy-benzenesulfonyl)-4-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C(C)c1ccccc1
Show InChI InChI=1S/C18H21NO5S/c1-13(14-6-4-3-5-7-14)17(12-18(20)19-21)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,17,21H,12H2,1-2H3,(H,19,20)
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8n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090347
PNG
(3-Cyclohexyl-N-hydroxy-3-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C1CCCCC1
Show InChI InChI=1S/C16H23NO5S/c1-22-13-7-9-14(10-8-13)23(20,21)15(11-16(18)17-19)12-5-3-2-4-6-12/h7-10,12,15,19H,2-6,11H2,1H3,(H,17,18)
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8n/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
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))
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



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
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))
BDBM50090377
PNG
(3-(4-Methoxy-benzenesulfonyl)-5,7,7-trimethyl-octa...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(C)CC(C)(C)C)CC(=O)NO
Show InChI InChI=1S/C18H29NO5S/c1-13(12-18(2,3)4)10-16(11-17(20)19-21)25(22,23)15-8-6-14(24-5)7-9-15/h6-9,13,16,21H,10-12H2,1-5H3,(H,19,20)
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27n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50089209
PNG
(3-(4-Methoxy-benzenesulfonyl)-heptanoic acid hydro...)
Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C14H21NO5S/c1-3-4-5-13(10-14(16)15-17)21(18,19)12-8-6-11(20-2)7-9-12/h6-9,13,17H,3-5,10H2,1-2H3,(H,15,16)
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30n/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
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))
BDBM50090366
PNG
(3-(4-Methoxy-benzenesulfonyl)-nonanoic acid hydrox...)
Show SMILES CCCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C16H25NO5S/c1-3-4-5-6-7-15(12-16(18)17-19)23(20,21)14-10-8-13(22-2)9-11-14/h8-11,15,19H,3-7,12H2,1-2H3,(H,17,18)
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31n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090357
PNG
(5-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-pentano...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C18H27NO5S/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/h8-9,11-12,14,17,21H,2-7,10,13H2,1H3,(H,19,20)
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36n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090382
PNG
(4-Benzyloxy-N-hydroxy-3-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(COCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO6S/c1-24-15-7-9-16(10-8-15)26(22,23)17(11-18(20)19-21)13-25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,19,20)
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38n/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
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
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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44n/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
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))
BDBM50090364
PNG
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21)
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60n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50090347
PNG
(3-Cyclohexyl-N-hydroxy-3-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C1CCCCC1
Show InChI InChI=1S/C16H23NO5S/c1-22-13-7-9-14(10-8-13)23(20,21)15(11-16(18)17-19)12-5-3-2-4-6-12/h7-10,12,15,19H,2-6,11H2,1H3,(H,17,18)
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86n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090370
PNG
(4-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES COC(=O)c1ccc(cc1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO7S/c1-25-14-7-9-15(10-8-14)27(23,24)16(11-17(20)19-22)12-3-5-13(6-4-12)18(21)26-2/h3-10,16,22H,11H2,1-2H3,(H,19,20)
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88n/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))
BDBM50090350
PNG
(4-Ethyl-3-(4-methoxy-benzenesulfonyl)-octanoic aci...)
Show SMILES CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H27NO5S/c1-4-6-7-13(5-2)16(12-17(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,18,19)
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184n/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
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50090343
PNG
(CHEMBL42537 | N-Hydroxy-3-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C16H17NO5S/c1-22-13-7-9-14(10-8-13)23(20,21)15(11-16(18)17-19)12-5-3-2-4-6-12/h2-10,15,19H,11H2,1H3,(H,17,18)
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270n/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))
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))
BDBM50090372
PNG
(3-(4-Methoxy-benzenesulfonyl)-4-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C(C)c1ccccc1
Show InChI InChI=1S/C18H21NO5S/c1-13(14-6-4-3-5-7-14)17(12-18(20)19-21)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,17,21H,12H2,1-2H3,(H,19,20)
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300n/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
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))
BDBM50090350
PNG
(4-Ethyl-3-(4-methoxy-benzenesulfonyl)-octanoic aci...)
Show SMILES CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H27NO5S/c1-4-6-7-13(5-2)16(12-17(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,18,19)
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357n/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))
BDBM50090357
PNG
(5-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-pentano...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C18H27NO5S/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/h8-9,11-12,14,17,21H,2-7,10,13H2,1H3,(H,19,20)
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400n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50089209
PNG
(3-(4-Methoxy-benzenesulfonyl)-heptanoic acid hydro...)
Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C14H21NO5S/c1-3-4-5-13(10-14(16)15-17)21(18,19)12-8-6-11(20-2)7-9-12/h6-9,13,17H,3-5,10H2,1-2H3,(H,15,16)
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404n/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
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))
BDBM50090357
PNG
(5-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-pentano...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C18H27NO5S/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/h8-9,11-12,14,17,21H,2-7,10,13H2,1H3,(H,19,20)
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590n/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
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))
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))
BDBM50090377
PNG
(3-(4-Methoxy-benzenesulfonyl)-5,7,7-trimethyl-octa...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(C)CC(C)(C)C)CC(=O)NO
Show InChI InChI=1S/C18H29NO5S/c1-13(12-18(2,3)4)10-16(11-17(20)19-21)25(22,23)15-8-6-14(24-5)7-9-15/h6-9,13,16,21H,10-12H2,1-5H3,(H,19,20)
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676n/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
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



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
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))
BDBM50090366
PNG
(3-(4-Methoxy-benzenesulfonyl)-nonanoic acid hydrox...)
Show SMILES CCCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C16H25NO5S/c1-3-4-5-6-7-15(12-16(18)17-19)23(20,21)14-10-8-13(22-2)9-11-14/h8-11,15,19H,3-7,12H2,1-2H3,(H,17,18)
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734n/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
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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PubMed
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))
BDBM50090364
PNG
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21)
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1.01E+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
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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1.39E+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-3.


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))
BDBM50090382
PNG
(4-Benzyloxy-N-hydroxy-3-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(COCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO6S/c1-24-15-7-9-16(10-8-15)26(22,23)17(11-18(20)19-21)13-25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,19,20)
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1.43E+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-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))
BDBM50090347
PNG
(3-Cyclohexyl-N-hydroxy-3-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C1CCCCC1
Show InChI InChI=1S/C16H23NO5S/c1-22-13-7-9-14(10-8-13)23(20,21)15(11-16(18)17-19)12-5-3-2-4-6-12/h7-10,12,15,19H,2-6,11H2,1H3,(H,17,18)
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1.71E+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))
BDBM50090372
PNG
(3-(4-Methoxy-benzenesulfonyl)-4-phenyl-pentanoic a...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C(C)c1ccccc1
Show InChI InChI=1S/C18H21NO5S/c1-13(14-6-4-3-5-7-14)17(12-18(20)19-21)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,17,21H,12H2,1-2H3,(H,19,20)
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1.71E+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))
BDBM50090377
PNG
(3-(4-Methoxy-benzenesulfonyl)-5,7,7-trimethyl-octa...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(C)CC(C)(C)C)CC(=O)NO
Show InChI InChI=1S/C18H29NO5S/c1-13(12-18(2,3)4)10-16(11-17(20)19-21)25(22,23)15-8-6-14(24-5)7-9-15/h6-9,13,16,21H,10-12H2,1-5H3,(H,19,20)
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1.72E+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))
BDBM50090370
PNG
(4-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES COC(=O)c1ccc(cc1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C18H19NO7S/c1-25-14-7-9-15(10-8-14)27(23,24)16(11-17(20)19-22)12-3-5-13(6-4-12)18(21)26-2/h3-10,16,22H,11H2,1-2H3,(H,19,20)
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1.90E+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))
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))
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
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