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BDBM50096471 2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-nitrobenzamide::2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-nitro-benzamide::CHEMBL311368

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO

InChI Key: InChIKey=FDKIFIWQKFBOTH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50096471   
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))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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n/an/a 13n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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PubMed
n/an/a 202n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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Article
PubMed
n/an/a 42n/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))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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Article
PubMed
n/an/a 13n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50096471
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
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PubMed
n/an/a 42n/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