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SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO

InChI Key: InChIKey=JRCGNOYYZQLNTH-UHFFFAOYSA-N

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 13 hits for monomerid = 11337   
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
Macrophage metalloelastase


(Mus musculus)
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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n/an/a 13n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)


BindingDB Entry DOI: 10.7270/Q2NP24ZC
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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PubMed
n/an/a 58n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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Article
PubMed
195 -9.15n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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120n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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136n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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58n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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35n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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19n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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35n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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PubMed
15n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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PubMed
86n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Collagenase ColG


(Clostridium histolyticum)
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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20n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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15n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair