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Compile Data Set for Download or QSAR

Found 3367 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9 (MMP-9)'   
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
Collagenase


(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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91 -40.2n/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
Collagenase


(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
Collagenase


(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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850 -34.6n/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
Collagenase


(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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1.33E+3 -33.5n/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
Collagenase


(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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2.19E+3 -32.3n/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
Collagenase


(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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2.23E+3 -32.3n/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
Collagenase


(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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2.63E+3 -31.9n/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
Collagenase


(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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>1.00E+4>-28.5n/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
Collagenase


(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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>1.00E+4>-28.5n/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
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/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
Collagenase


(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>300n/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
Collagenase


(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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PubMed
90 -39.8n/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
Collagenase


(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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200 -37.9n/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
Collagenase


(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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200 -37.9n/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
Collagenase


(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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200 -37.9n/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
Collagenase


(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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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 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
Collagenase


(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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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
Collagenase


(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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6.30E+3 -29.4n/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 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
Collagenase


(Homo sapiens (Human))
BDBM125923
PNG
(US8772478, 15 | US8772478, 8)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCCCC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O5S/c1-18-15-19(22-7-3-4-8-23(22)27-18)17-34-20-9-11-21(12-10-20)35(32,33)26-16-24(25(30)28-31)29-13-5-2-6-14-29/h3-4,7-12,15,24,26,31H,2,5-6,13-14,16-17H2,1H3,(H,28,30)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.4n/a



Galderma Research & Development

US Patent


Assay Description
The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...


US Patent US8772478 (2014)


BindingDB Entry DOI: 10.7270/Q29Z93JW
More data for this
Ligand-Target Pair
Collagenase


(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 2.75E+3n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-9 was expressed in Sf9 insect cells and purified by gelatin-Sepharose affinity chromatography as described previously16,17. It ...


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
Collagenase


(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 8.65E+3n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-9 was expressed in Sf9 insect cells and purified by gelatin-Sepharose affinity chromatography as described previously16,17. It ...


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
Collagenase


(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 3.50E+3n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-9 was expressed in Sf9 insect cells and purified by gelatin-Sepharose affinity chromatography as described previously16,17. It ...


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
Collagenase


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 12n/an/an/an/a7.422



Wyeth Research



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...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM125925
PNG
(US8772478, 14)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCOCC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H28N4O6S/c1-17-14-18(21-4-2-3-5-22(21)26-17)16-34-19-6-8-20(9-7-19)35(31,32)25-15-23(24(29)27-30)28-10-12-33-13-11-28/h2-9,14,23,25,30H,10-13,15-16H2,1H3,(H,27,29)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.4n/a



Galderma Research & Development

US Patent


Assay Description
The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentratio...


US Patent US8772478 (2014)


BindingDB Entry DOI: 10.7270/Q29Z93JW
More data for this
Ligand-Target Pair
Collagenase


(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 750n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
Recombinant human MMP-9 was expressed in Sf9 insect cells and purified by gelatin-Sepharose affinity chromatography as described previously16,17. It ...


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
Collagenase


(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-9 was expressed in Sf9 insect cells and purified by gelatin-Sepharose affinity chromatography as described previously16,17. It ...


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
Collagenase


(Homo sapiens (Human))
BDBM26810
PNG
((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/m0/s1
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1.25E+3 -33.7n/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: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26809
PNG
((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/m0/s1
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1.45E+3 -33.3n/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: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1S/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1
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>2.13E+3>-32.4n/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: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256144
PNG
(US9487462, 35)
Show SMILES FC(F)(F)c1cnc(CCc2ccccc2)[nH]1
Show InChI InChI=1S/C12H11F3N2/c13-12(14,15)10-8-16-11(17-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)
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n/an/a>5.00E+5n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256145
PNG
(US9487462, 36)
Show SMILES OC(=O)c1cnc(CCc2ccccc2)[nH]1
Show InChI InChI=1S/C12H12N2O2/c15-12(16)10-8-13-11(14-10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)
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n/an/a>5.00E+5n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256146
PNG
(US9487462, 37)
Show SMILES COC(=O)c1cnc(CCc2ccccc2)[nH]1
Show InChI InChI=1S/C13H14N2O2/c1-17-13(16)11-9-14-12(15-11)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)
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n/an/a 1.45E+5n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256147
PNG
(US9487462, 38)
Show SMILES O=C(N1CCCC1)c1cnc(CCc2ccccc2)[nH]1
Show InChI InChI=1S/C16H19N3O/c20-16(19-10-4-5-11-19)14-12-17-15(18-14)9-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,18)
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n/an/a 8.00E+4n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
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
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
Collagenase


(Homo sapiens (Human))
BDBM194638
PNG
(US9206139, 1)
Show SMILES C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C18H20F3N3O3/c1-10(8-11-2-4-13(5-3-11)18(19,20)21)14(25)22-9-17(12-6-7-12)15(26)23-16(27)24-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)(H2,23,24,26,27)/t10-,17+/m1/s1
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n/an/a 1.20E+4n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


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


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM194639
PNG
(US9206139, 2)
Show SMILES CC[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C19H22F3N3O3/c1-2-12(9-11-3-5-14(6-4-11)19(20,21)22)15(26)23-10-18(13-7-8-13)16(27)24-17(28)25-18/h3-6,12-13H,2,7-10H2,1H3,(H,23,26)(H2,24,25,27,28)/t12-,18+/m1/s1
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n/an/a 439n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


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


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM194644
PNG
(US9206139, 3)
Show SMILES FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1
Show InChI InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


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


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM194645
PNG
(US9206139, 4)
Show SMILES CC(C)[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C20H24F3N3O3/c1-11(2)15(9-12-3-5-14(6-4-12)20(21,22)23)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h3-6,11,13,15H,7-10H2,1-2H3,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1
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Eli Lilly and Company

US Patent


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


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM194646
PNG
(US9206139, 5)
Show SMILES CC(C)(Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C19H22F3N3O3/c1-17(2,9-11-3-5-13(6-4-11)19(20,21)22)14(26)23-10-18(12-7-8-12)15(27)24-16(28)25-18/h3-6,12H,7-10H2,1-2H3,(H,23,26)(H2,24,25,27,28)/t18-/m0/s1
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n/an/a 7.59E+3n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


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


US Patent US9206139 (2015)


BindingDB Entry DOI: 10.7270/Q25X27R0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM234334
PNG
(GM6001)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 0.260n/an/an/an/a7.537



Huazhong University of Science and Technology



Assay Description
The MMP-9 assay was performed in 50 mM Tris-HCl buffer (pH 7.5, 10mM CaCl2, 150mM NaCl, 0.05% Brij-35). Then, 30ng Active MMP-9 was added to 50 μ...


J Enzyme Inhib Med Chem 26: 181-7 (2011)


Article DOI: 10.3109/14756366.2010.487485
BindingDB Entry DOI: 10.7270/Q2JM28J1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM234335
PNG
(Inhibitor A)
Show SMILES ONC(=O)Cc1cc2ccccc2oc1=O
Show InChI InChI=1S/C11H9NO4/c13-10(12-15)6-8-5-7-3-1-2-4-9(7)16-11(8)14/h1-5,15H,6H2,(H,12,13)
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n/an/a 537n/an/an/an/a7.537



Huazhong University of Science and Technology



Assay Description
The MMP-9 assay was performed in 50 mM Tris-HCl buffer (pH 7.5, 10mM CaCl2, 150mM NaCl, 0.05% Brij-35). Then, 30ng Active MMP-9 was added to 50 μ...


J Enzyme Inhib Med Chem 26: 181-7 (2011)


Article DOI: 10.3109/14756366.2010.487485
BindingDB Entry DOI: 10.7270/Q2JM28J1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256120
PNG
(US9487462, 1)
Show SMILES OC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1
Show InChI InChI=1S/C25H22FN3O3S/c26-21-7-3-18(4-8-21)13-29(15-24-28-23(17-33-24)25(30)31)14-19-5-9-22(10-6-19)32-16-20-2-1-11-27-12-20/h1-12,17H,13-16H2,(H,30,31)
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n/an/a 3.70E+4n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256121
PNG
(US9487462, 2)
Show SMILES CCOC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1
Show InChI InChI=1S/C27H26FN3O3S/c1-2-33-27(32)25-19-35-26(30-25)17-31(15-20-5-9-23(28)10-6-20)16-21-7-11-24(12-8-21)34-18-22-4-3-13-29-14-22/h3-14,19H,2,15-18H2,1H3
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n/an/a 1.63E+5n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256124
PNG
(US9487462, 5)
Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2cccc(F)c2)n1
Show InChI InChI=1S/C26H23FN2O3S/c27-22-8-4-7-21(13-22)15-29(16-25-28-24(18-33-25)26(30)31)14-19-9-11-23(12-10-19)32-17-20-5-2-1-3-6-20/h1-13,18H,14-17H2,(H,30,31)
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n/an/a 9.80E+3n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256125
PNG
(US9487462, 6)
Show SMILES OC(=O)c1csc(CN(CC(c2ccccc2)c2ccccc2)Cc2ccc(OCc3ccccc3)cc2)n1
Show InChI InChI=1S/C33H30N2O3S/c36-33(37)31-24-39-32(34-31)22-35(21-30(27-12-6-2-7-13-27)28-14-8-3-9-15-28)20-25-16-18-29(19-17-25)38-23-26-10-4-1-5-11-26/h1-19,24,30H,20-23H2,(H,36,37)
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n/an/a 1.00E+4n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256126
PNG
(US9487462, 7)
Show SMILES OC(=O)c1csc(CN(Cc2ccccc2)Cc2ccccc2)n1
Show InChI InChI=1S/C19H18N2O2S/c22-19(23)17-14-24-18(20-17)13-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,23)
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n/an/a 1.30E+4n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256127
PNG
(US9487462, 9)
Show SMILES OC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3ccncc3)cc2)n1
Show InChI InChI=1S/C25H22FN3O3S/c26-21-5-1-18(2-6-21)13-29(15-24-28-23(17-33-24)25(30)31)14-19-3-7-22(8-4-19)32-16-20-9-11-27-12-10-20/h1-12,17H,13-16H2,(H,30,31)
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n/an/a 8.80E+3n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM256128
PNG
(US9487462, 10)
Show SMILES OC(=O)c1csc(CN(Cc2ccc(OCc3cccnc3)cc2)Cc2cccnc2)n1
Show InChI InChI=1S/C24H22N4O3S/c29-24(30)22-17-32-23(27-22)15-28(14-19-3-1-9-25-11-19)13-18-5-7-21(8-6-18)31-16-20-4-2-10-26-12-20/h1-12,17H,13-16H2,(H,29,30)
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n/an/a>5.00E+5n/an/an/an/a7.537



PharmaHungary 2000 Kft.; TargetEx Kft.

US Patent


Assay Description
Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...


US Patent US9487462 (2016)


BindingDB Entry DOI: 10.7270/Q2W094VZ
More data for this
Ligand-Target Pair
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