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SMILES: ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=KFTWEWMQNRZZNL-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 = 50096643   
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))
BDBM50096643
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1,1,3-trio...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O6S/c27-23(25-29)19(14-15-26-24(28)21-8-4-5-9-22(21)33(26,30)31)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,29H,14-16H2,(H,25,27)
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n/an/a 16n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50096643
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1,1,3-trio...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O6S/c27-23(25-29)19(14-15-26-24(28)21-8-4-5-9-22(21)33(26,30)31)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,29H,14-16H2,(H,25,27)
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n/an/a 42n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50096643
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1,1,3-trio...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O6S/c27-23(25-29)19(14-15-26-24(28)21-8-4-5-9-22(21)33(26,30)31)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,29H,14-16H2,(H,25,27)
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n/an/a 23n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096643
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1,1,3-trio...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O6S/c27-23(25-29)19(14-15-26-24(28)21-8-4-5-9-22(21)33(26,30)31)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,29H,14-16H2,(H,25,27)
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n/an/a 7n/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))
BDBM50096643
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1,1,3-trio...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O6S/c27-23(25-29)19(14-15-26-24(28)21-8-4-5-9-22(21)33(26,30)31)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,29H,14-16H2,(H,25,27)
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n/an/a>1.00E+5n/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