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BDBM50246601 2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenylsulfonamido)acetic acid::CHEMBL472899

SMILES: ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=ZRAUMSIZBNBIFE-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50246601   
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))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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PubMed
n/an/a 14n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 1.20n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 transfected in mouse melanoma cells


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Pseudolysin


(Pseudomonas aeruginosa)
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a>1.86E+5n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins


Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 1.60n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 11n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP16


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair
Pseudolysin


(Pseudomonas aeruginosa)
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 4.60E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys-(Dnp)-OH as substrate after 1 hr by fluorescence assay...


Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 3.70n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 51: 7968-79 (2008)


Article DOI: 10.1021/jm800964f
BindingDB Entry DOI: 10.7270/Q2XK8FDN
More data for this
Ligand-Target Pair