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BDBM50343052 CHEMBL1770700::N-hydroxy-4-(4-(3-(4-methoxybenzamido)propoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide

SMILES: COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO

InChI Key: InChIKey=MASDJPGVHCTFLM-UHFFFAOYSA-N

Data: 7 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50343052   
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
Collagenase


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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550n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-14


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-1


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 900n/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
Collagenase


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 550n/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
Collagenase


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 1.60n/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