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SMILES: ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=PCOMQZCYLOTKTN-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 = 50343062   
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))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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Article
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair