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SMILES: COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1

InChI Key: InChIKey=STMMWXRQAOVQNP-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50343061   
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))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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PubMed
n/an/a 23n/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))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 0.300n/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))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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PubMed
n/an/a 31n/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))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 2.5n/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