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4 similar compounds to monomer 50090364

Compile data set for download or QSAR
Wt: 341.4
BDBM50090347
Wt: 357.4
BDBM50090350
Wt: 369.4
BDBM50090357
Wt: 371.4
BDBM50090377

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50090347,50090350,50090357,50090377   
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
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)


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


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


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


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))
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)


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))
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)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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)


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))
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)


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))
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)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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)


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