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SMILES: CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO

InChI Key: InChIKey=CADOQGNFDXDEHI-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 = 50343059   
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))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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Article
PubMed
n/an/a 930n/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))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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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))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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PubMed
n/an/a 170n/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))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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Article
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n/an/a 18n/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