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BDBM50096467 2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-(1-(hydroxyamino)-2-methyl-1-oxopropan-2-yloxy)benzamide::2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-(1-hydroxycarbamoyl-1-methyl-ethoxy)-benzamide::CHEMBL80300

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO

InChI Key: InChIKey=CXRZYJPQMZBWAW-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50096467   
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 3


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 6n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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Article
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n/an/a 6n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 4n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096467
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO
Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 597n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair