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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 111.1
BDBM11365
Purchase
Wt: 165.0
BDBM11366
Wt: 140.1
BDBM11370
Wt: 173.1
BDBM11372
Purchase
Wt: 180.2
BDBM50092158
Purchase
Wt: 167.1
BDBM50146797
Wt: 167.1
BDBM50146799
Wt: 179.1
BDBM50146800
Purchase
Wt: 181.1
BDBM50146806
Wt: 139.0
BDBM50146809
Wt: 153.0
BDBM50146811
Wt: 181.1
BDBM50146813
Wt: 180.1
BDBM50146814
Wt: 165.0
BDBM50146815
Wt: 181.1
BDBM50146817
Displayed 1 to 15 (of 1166 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 110 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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16n/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 2


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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26n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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30n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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40n/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 IV


(Bos taurus (bovine))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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74n/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 IV


(Bos taurus (bovine))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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290n/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 2


(Homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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4.70E+3n/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
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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1.20E+4n/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


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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1.80E+4n/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


(Homo sapiens (human))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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2.00E+4n/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 IV


(Bos taurus (bovine))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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5.60E+4n/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
Collagenase


(homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.00E+4n/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-8 (MMP-8)


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.40E+4n/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
Collagenase


(Homo sapiens (Human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.80E+4n/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-1 (MMP1)


(homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.90E+4n/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
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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8.30E+4n/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
Collagenase


(Homo sapiens (Human))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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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
Collagenase


(Homo sapiens (Human))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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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
Collagenase


(Homo sapiens (Human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/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-8 (MMP-8)


(Homo sapiens (human))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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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-8 (MMP-8)


(Homo sapiens (human))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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>1.00E+5n/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-8 (MMP-8)


(Homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/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
Collagenase


(homo sapiens (human))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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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
Collagenase


(homo sapiens (human))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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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
Collagenase


(homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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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-1 (MMP1)


(homo sapiens (human))
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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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-1 (MMP1)


(homo sapiens (human))
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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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-1 (MMP1)


(homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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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
Carbonic anhydrase


(Homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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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
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11370
PNG
((hydroxysulfamoyl)dimethylamine | Hydroxysulfonami...)
Show SMILES CN(C)S(=O)(=O)NO
Show InChI InChI=1S/C2H8N2O3S/c1-4(2)8(6,7)3-5/h3,5H,1-2H3
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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
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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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
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11366
PNG
(1,1,1-trifluoro-N-hydroxymethanesulfonamide | Hydr...)
Show SMILES ONS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO3S/c2-1(3,4)9(7,8)5-6/h5-6H
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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
Collagenase


(homo sapiens (human))
BDBM50146809
PNG
((methylamino)carbonylphosphonic acid | CHEMBL97388)
Show SMILES CNC(=O)P(O)(O)=O
Show InChI InChI=1S/C2H6NO4P/c1-3-2(4)8(5,6)7/h1H3,(H,3,4)(H2,5,6,7)
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n/an/a 20n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50146800
PNG
((cyclobutylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCC1
Show InChI InChI=1S/C5H10NO4P/c7-5(11(8,9)10)6-4-2-1-3-4/h4H,1-3H2,(H,6,7)(H2,8,9,10)
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n/an/a 40n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-8 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146800
PNG
((cyclobutylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCC1
Show InChI InChI=1S/C5H10NO4P/c7-5(11(8,9)10)6-4-2-1-3-4/h4H,1-3H2,(H,6,7)(H2,8,9,10)
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n/an/a 150n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50146815
PNG
((cyclopropylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CC1
Show InChI InChI=1S/C4H8NO4P/c6-4(10(7,8)9)5-3-1-2-3/h3H,1-2H2,(H,5,6)(H2,7,8,9)
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n/an/a 200n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-8 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146797
PNG
((propylamino)carbonylphosphonic acid | CHEMBL94346)
Show SMILES CCCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-2-3-5-4(6)10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)
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n/an/a 300n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146815
PNG
((cyclopropylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CC1
Show InChI InChI=1S/C4H8NO4P/c6-4(10(7,8)9)5-3-1-2-3/h3H,1-2H2,(H,5,6)(H2,7,8,9)
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n/an/a 500n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146813
PNG
((diethylamino)carbonylphosphonic acid | CHEMBL9705...)
Show SMILES CCN(CC)C(=O)P(O)(O)=O
Show InChI InChI=1S/C5H12NO4P/c1-3-6(4-2)5(7)11(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50146806
PNG
(cyclohexanaminium hydrogen (isobutylamino)carbonyl...)
Show SMILES CC(C)CNC(=O)P(O)(O)=O
Show InChI InChI=1S/C5H12NO4P/c1-4(2)3-6-5(7)11(8,9)10/h4H,3H2,1-2H3,(H,6,7)(H2,8,9,10)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-8 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146814
PNG
(CHEMBL97389 | sodium hydrogen (butylamino)carbonyl...)
Show SMILES CCCCNC(=O)P(O)([O-])=O
Show InChI InChI=1S/C5H12NO4P/c1-2-3-4-6-5(7)11(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)/p-1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146817
PNG
((sec-butylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CCC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C5H12NO4P/c1-3-4(2)6-5(7)11(8,9)10/h4H,3H2,1-2H3,(H,6,7)(H2,8,9,10)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146811
PNG
((ethylamino)carbonylphosphonic acid | CHEMBL94348)
Show SMILES CCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C3H8NO4P/c1-2-4-3(5)9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US9187406, 1,...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 4.00E+3n/an/an/an/an/a37



The Research Foundation of State University of New York; Chem-Master International, Inc.

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US9187406 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M3V
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50146811
PNG
((ethylamino)carbonylphosphonic acid | CHEMBL94348)
Show SMILES CCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C3H8NO4P/c1-2-4-3(5)9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined


J Med Chem 47: 2826-32 (2004)


Article DOI: 10.1021/jm030386z
BindingDB Entry DOI: 10.7270/Q2XS5W4C
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 7.27E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 8.30E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
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