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SMILES: ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccn1

InChI Key: InChIKey=YHQIGEQPWJUUHA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108155   
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))
BDBM50108155
PNG
(CHEMBL73928 | N-Hydroxy-N-{1-pyridin-2-yl-2-[4-(4-...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccn1
Show InChI InChI=1S/C21H17F3N2O6S/c22-21(23,24)32-17-6-4-15(5-7-17)31-16-8-10-18(11-9-16)33(29,30)13-20(26(28)14-27)19-3-1-2-12-25-19/h1-12,14,20,28H,13H2
PDB
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PC cid
PC sid
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n/an/a 2.20n/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))
BDBM50108155
PNG
(CHEMBL73928 | N-Hydroxy-N-{1-pyridin-2-yl-2-[4-(4-...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccn1
Show InChI InChI=1S/C21H17F3N2O6S/c22-21(23,24)32-17-6-4-15(5-7-17)31-16-8-10-18(11-9-16)33(29,30)13-20(26(28)14-27)19-3-1-2-12-25-19/h1-12,14,20,28H,13H2
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Article
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n/an/a 2.20n/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))
BDBM50108155
PNG
(CHEMBL73928 | N-Hydroxy-N-{1-pyridin-2-yl-2-[4-(4-...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccn1
Show InChI InChI=1S/C21H17F3N2O6S/c22-21(23,24)32-17-6-4-15(5-7-17)31-16-8-10-18(11-9-16)33(29,30)13-20(26(28)14-27)19-3-1-2-12-25-19/h1-12,14,20,28H,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))
BDBM50108155
PNG
(CHEMBL73928 | N-Hydroxy-N-{1-pyridin-2-yl-2-[4-(4-...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccn1
Show InChI InChI=1S/C21H17F3N2O6S/c22-21(23,24)32-17-6-4-15(5-7-17)31-16-8-10-18(11-9-16)33(29,30)13-20(26(28)14-27)19-3-1-2-12-25-19/h1-12,14,20,28H,13H2
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n/an/a 1.70n/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