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Compile Data Set for Download or QSAR

Found 30 hits of ph data with Target = 'Matrix Metalloproteinase-8 (MMP-8)'   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92447
PNG
(Inhibitor, 17)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-12-2-9-16(26-12)14-6-3-13(4-7-14)5-10-17(22)21-15(19(20)25)8-11-18(23)24/h2-4,6-7,9,15H,5,8,10-11H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/t15-/m0/s1
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5.30 -47.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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>100>-40.0n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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203 -38.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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205 -38.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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271 -37.5n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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338 -36.9n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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410 -36.5n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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410 -36.5n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92446
PNG
(Inhibitor, 16)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1
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671 -35.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(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/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM92442
PNG
(MMP Inhibitor, 2)
Show SMILES CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)
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n/an/a 37n/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM29018
PNG
((1S,5S,7R)-3-N-hydroxy-7-N-[(4-phenylphenyl)methyl...)
Show SMILES ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1
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n/an/a 5.13E+5n/an/an/an/a7.025



University of Florence



Assay Description
The inhibition potency (IC50) was measured by fluorescent enzymatic assays. The compounds were evaluated for their ability to inhibit the hydrolysis ...


Bioorg Med Chem 14: 7392-403 (2006)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2TD9VPX
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26550
PNG
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)
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43 -41.6n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.014
BindingDB Entry DOI: 10.7270/Q2930RH8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26550
PNG
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)
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43 -41.6n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.064
BindingDB Entry DOI: 10.7270/Q2DV1H67
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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800 -34.4n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.064
BindingDB Entry DOI: 10.7270/Q2DV1H67
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
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1.30E+3 -33.3n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.064
BindingDB Entry DOI: 10.7270/Q2DV1H67
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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1.90E+3 -32.3n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.064
BindingDB Entry DOI: 10.7270/Q2DV1H67
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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1.90E+3 -32.3n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.014
BindingDB Entry DOI: 10.7270/Q2930RH8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26554
PNG
(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CCCS
Show InChI InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3
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2.70E+3 -31.5n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.014
BindingDB Entry DOI: 10.7270/Q2930RH8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM237180
PNG
((D-Pyr)-(D-Cys)-Bip-Arg)
Show SMILES C[C@@H](Nc1ccccn1)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C35H45N9O6S/c1-22(40-29-16-8-9-17-38-29)30(45)44-28(21-51)33(48)43-27(20-24-13-6-3-7-14-24)32(47)42-26(19-23-11-4-2-5-12-23)31(46)41-25(34(49)50)15-10-18-39-35(36)37/h2-9,11-14,16-17,22,25-28,51H,10,15,18-21H2,1H3,(H,38,40)(H,41,46)(H,42,47)(H,43,48)(H,44,45)(H,49,50)(H4,36,37,39)/t22-,25+,26+,27+,28-/m1/s1
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n/an/a 800n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-8 was purchased as an active form enzyme (Sino Biological Inc.). The enzyme activity was detected with the same fluorogenic pep...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM237181
PNG
((D-Pyr)-(D-Cys)-Bip-Lys)
Show SMILES C[C@@H](Nc1ccccn1)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C35H45N7O6S/c1-23(38-30-17-9-11-19-37-30)31(43)42-29(22-49)34(46)41-28(21-25-14-6-3-7-15-25)33(45)40-27(20-24-12-4-2-5-13-24)32(44)39-26(35(47)48)16-8-10-18-36/h2-7,9,11-15,17,19,23,26-29,49H,8,10,16,18,20-22,36H2,1H3,(H,37,38)(H,39,44)(H,40,45)(H,41,46)(H,42,43)(H,47,48)/t23-,26+,27+,28+,29-/m1/s1
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n/an/a 650n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-8 was purchased as an active form enzyme (Sino Biological Inc.). The enzyme activity was detected with the same fluorogenic pep...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM237179
PNG
((D-Pyr)-(D-Cys)-Bip-(D-Cys))
Show SMILES C[C@@H](Nc1ccccn1)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C32H38N6O6S2/c1-20(34-27-14-8-9-15-33-27)28(39)37-25(18-45)31(42)36-23(16-21-10-4-2-5-11-21)29(40)35-24(17-22-12-6-3-7-13-22)30(41)38-26(19-46)32(43)44/h2-15,20,23-26,45-46H,16-19H2,1H3,(H,33,34)(H,35,40)(H,36,42)(H,37,39)(H,38,41)(H,43,44)/t20-,23+,24+,25-,26-/m1/s1
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n/an/a 730n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-8 was purchased as an active form enzyme (Sino Biological Inc.). The enzyme activity was detected with the same fluorogenic pep...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM237178
PNG
(Arg-(D-Cys)-Bip-Arg)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C33H49N11O6S/c34-22(13-7-15-39-32(35)36)27(45)44-26(19-51)30(48)43-25(18-21-11-5-2-6-12-21)29(47)42-24(17-20-9-3-1-4-10-20)28(46)41-23(31(49)50)14-8-16-40-33(37)38/h1-6,9-12,22-26,51H,7-8,13-19,34H2,(H,41,46)(H,42,47)(H,43,48)(H,44,45)(H,49,50)(H4,35,36,39)(H4,37,38,40)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 900n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-8 was purchased as an active form enzyme (Sino Biological Inc.). The enzyme activity was detected with the same fluorogenic pep...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM237177
PNG
(Arg-Cys-(D-Bip)-(D-Arg))
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C33H49N11O6S/c34-22(13-7-15-39-32(35)36)27(45)44-26(19-51)30(48)43-25(18-21-11-5-2-6-12-21)29(47)42-24(17-20-9-3-1-4-10-20)28(46)41-23(31(49)50)14-8-16-40-33(37)38/h1-6,9-12,22-26,51H,7-8,13-19,34H2,(H,41,46)(H,42,47)(H,43,48)(H,44,45)(H,49,50)(H4,35,36,39)(H4,37,38,40)/t22-,23+,24+,25+,26-/m0/s1
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n/an/a 2.30E+3n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-8 was purchased as an active form enzyme (Sino Biological Inc.). The enzyme activity was detected with the same fluorogenic pep...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM12072
PNG
((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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0.600 -52.6n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM12073
PNG
((S)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
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700 -35.1n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26791
PNG
(benzimidazole analog., 17 | tert-butyl (3S,4S)-3-(...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31N5O5/c1-16-27-20-7-5-6-8-22(20)31(16)13-17-9-11-18(12-10-17)23(32)28-21-15-30(14-19(21)24(33)29-35)25(34)36-26(2,3)4/h5-12,19,21,35H,13-15H2,1-4H3,(H,28,32)(H,29,33)/t19-,21+/m0/s1
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1.87E+3 -32.7n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26789
PNG
(benzimidazole analog., 15 | tert-butyl (3S,4S)-3-(...)
Show SMILES CSc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31N5O5S/c1-26(2,3)36-25(34)30-14-18(23(33)29-35)20(15-30)27-22(32)17-11-9-16(10-12-17)13-31-21-8-6-5-7-19(21)28-24(31)37-4/h5-12,18,20,35H,13-15H2,1-4H3,(H,27,32)(H,29,33)/t18-,20+/m0/s1
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1.96E+3 -32.6n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(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)
Matrix Metalloproteinase-8 (MMP-8)


(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)