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SMILES: ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=YMFBAKCSKQKFMX-UHFFFAOYSA-N

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 = 50096644   
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))
BDBM50096644
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-p...)
Show SMILES ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
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n/an/a 33n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50096644
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-p...)
Show SMILES ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
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n/an/a 62n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096644
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-p...)
Show SMILES ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
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n/an/a 101n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096644
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-p...)
Show SMILES ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096644
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-p...)
Show SMILES ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair