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SMILES: OCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O

InChI Key: InChIKey=VWWHTVYUWIWLPA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108131   
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))
BDBM50108131
PNG
(CHEMBL307413 | N-Hydroxy-N-{1-hydroxymethyl-2-[4-(...)
Show SMILES OCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C17H16F3NO7S/c18-17(19,20)28-15-3-1-13(2-4-15)27-14-5-7-16(8-6-14)29(25,26)10-12(9-22)21(24)11-23/h1-8,11-12,22,24H,9-10H2
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PubMed
n/an/a 0.260n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108131
PNG
(CHEMBL307413 | N-Hydroxy-N-{1-hydroxymethyl-2-[4-(...)
Show SMILES OCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C17H16F3NO7S/c18-17(19,20)28-15-3-1-13(2-4-15)27-14-5-7-16(8-6-14)29(25,26)10-12(9-22)21(24)11-23/h1-8,11-12,22,24H,9-10H2
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Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50108131
PNG
(CHEMBL307413 | N-Hydroxy-N-{1-hydroxymethyl-2-[4-(...)
Show SMILES OCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C17H16F3NO7S/c18-17(19,20)28-15-3-1-13(2-4-15)27-14-5-7-16(8-6-14)29(25,26)10-12(9-22)21(24)11-23/h1-8,11-12,22,24H,9-10H2
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n/an/a 0.350n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50108131
PNG
(CHEMBL307413 | N-Hydroxy-N-{1-hydroxymethyl-2-[4-(...)
Show SMILES OCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C17H16F3NO7S/c18-17(19,20)28-15-3-1-13(2-4-15)27-14-5-7-16(8-6-14)29(25,26)10-12(9-22)21(24)11-23/h1-8,11-12,22,24H,9-10H2
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PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair