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

InChI Key: InChIKey=ANRXCWSBJHOAED-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108139   
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))
BDBM50108139
PNG
(CHEMBL74365 | N-Hydroxy-N-[2-[4-(4-trifluoromethox...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H17F6NO6S/c24-22(25,26)16-3-1-15(2-4-16)21(30(32)14-31)13-37(33,34)20-11-9-18(10-12-20)35-17-5-7-19(8-6-17)36-23(27,28)29/h1-12,14,21,32H,13H2
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MMDB

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PubMed
n/an/a 37n/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))
BDBM50108139
PNG
(CHEMBL74365 | N-Hydroxy-N-[2-[4-(4-trifluoromethox...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H17F6NO6S/c24-22(25,26)16-3-1-15(2-4-16)21(30(32)14-31)13-37(33,34)20-11-9-18(10-12-20)35-17-5-7-19(8-6-17)36-23(27,28)29/h1-12,14,21,32H,13H2
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Article
PubMed
n/an/a 37n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50108139
PNG
(CHEMBL74365 | N-Hydroxy-N-[2-[4-(4-trifluoromethox...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H17F6NO6S/c24-22(25,26)16-3-1-15(2-4-16)21(30(32)14-31)13-37(33,34)20-11-9-18(10-12-20)35-17-5-7-19(8-6-17)36-23(27,28)29/h1-12,14,21,32H,13H2
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n/an/a>5.00E+4n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50108139
PNG
(CHEMBL74365 | N-Hydroxy-N-[2-[4-(4-trifluoromethox...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H17F6NO6S/c24-22(25,26)16-3-1-15(2-4-16)21(30(32)14-31)13-37(33,34)20-11-9-18(10-12-20)35-17-5-7-19(8-6-17)36-23(27,28)29/h1-12,14,21,32H,13H2
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PubMed
n/an/a 62n/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