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BDBM50204371 2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-hydroxyacetamide::CHEMBL226439::N-hydroxy-2-(N-isopropoxy-4-methoxyphenylsulfonamido)acetamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C

InChI Key: InChIKey=ICISPHGVMHWYTI-UHFFFAOYSA-N

Data: 3 KI  8 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 11 hits for monomerid = 50204371   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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PubMed
91n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration method


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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9.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by CO2 hydration method


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 expressed in mouse myeloma cells


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP1 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in mouse myeloma cells


Bioorg Med Chem 15: 2298-311 (2007)


Article DOI: 10.1016/j.bmc.2007.01.023
BindingDB Entry DOI: 10.7270/Q2VX0HBC
More data for this
Ligand-Target Pair