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PubMed code 19173605

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a 7.40n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a<25n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a<25n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a 57n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a<100n/an/an/an/a6.022



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>2.50E+3n/an/an/an/a6.022



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a>2.50E+3n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a>5.00E+3n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.522



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%