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BDBM50084747 4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide::4-Cyclohexanecarbonyl-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide::CHEMBL340923

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1

InChI Key: InChIKey=BSHJFYSJFLAHQN-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50084747   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 1.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)


J Med Chem 43: 369-80 (2000)


BindingDB Entry DOI: 10.7270/Q2J965M3
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 219n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1 (MMP-1)


J Med Chem 43: 369-80 (2000)


BindingDB Entry DOI: 10.7270/Q2J965M3
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 27n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 369-80 (2000)


BindingDB Entry DOI: 10.7270/Q2J965M3
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 27n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Binding affinity towards matrix metalloprotease-3


J Med Chem 44: 3849-55 (2001)


BindingDB Entry DOI: 10.7270/Q2ZK5HWX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-7 (MMP-7)


J Med Chem 43: 369-80 (2000)


BindingDB Entry DOI: 10.7270/Q2J965M3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 1.5n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
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n/an/a 1.5n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 369-80 (2000)


BindingDB Entry DOI: 10.7270/Q2J965M3
More data for this
Ligand-Target Pair