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BDBM50332946 CHEMBL1234724::N-hydroxy-2-(N-(2-hydroxyethyl)-4-methoxyphenylsulfonamido)acetamide::N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO

InChI Key: InChIKey=IVGHGMHNUBCTDC-UHFFFAOYSA-N

Data: 5 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50332946   
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))
BDBM50332946
PNG
(CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
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Article
PubMed
1n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP13 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50332946
PNG
(CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
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Article
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7.60n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50332946
PNG
(CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
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13n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50332946
PNG
(CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
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128n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP1 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50332946
PNG
(CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
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1.50E+3n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP7 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair