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Compile Data Set for Download or QSAR

Found 3387 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9 (MMP-9)'   
Target
(Institution)
LigandTarget
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))
BDBM50104000
PNG
(4-Benzylsulfanyl-2-[[(cyclohexylmethyl-carbamoyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H37N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h3,6-7,10-15,21,25,33H,2,4-5,8-9,16-20H2,1H3,(H,28,31)(H,29,32)
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n/an/a 0.0100n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50389100
PNG
(CHEMBL2064547)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCF)nn1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C17H24FN5O5S/c1-12(2)16(17(24)20-25)23(11-13-10-22(9-8-18)21-19-13)29(26,27)15-6-4-14(28-3)5-7-15/h4-7,10,12,16,25H,8-9,11H2,1-3H3,(H,20,24)/t16-/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.0480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay


J Med Chem 45: 219-32 (2001)

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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n/an/a 0.0500n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 54: 4350-64 (2011)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50389096
PNG
(CHEMBL2064549)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCF)nn1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C23H36FN5O8S/c1-18(2)22(23(30)26-31)29(38(32,33)21-6-4-20(34-3)5-7-21)17-19-16-28(27-25-19)9-11-36-13-15-37-14-12-35-10-8-24/h4-7,16,18,22,31H,8-15,17H2,1-3H3,(H,26,30)/t22-/m1/s1
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n/an/a 0.0500n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50389101
PNG
(CHEMBL2064548)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C30H43N5O11S2/c1-23(2)29(30(36)32-37)35(47(38,39)27-11-7-26(42-4)8-12-27)22-25-21-34(33-31-25)13-14-43-15-16-44-17-18-45-19-20-46-48(40,41)28-9-5-24(3)6-10-28/h5-12,21,23,29,37H,13-20,22H2,1-4H3,(H,32,36)/t29-/m1/s1
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n/an/a 0.0600n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50108151
PNG
(CHEMBL75164 | N-{2,3-Dihydroxy-1-[4-(4-trifluorome...)
Show SMILES OC[C@@H](O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C18H18F3NO8S/c19-18(20,21)30-14-3-1-12(2-4-14)29-13-5-7-15(8-6-13)31(27,28)10-16(17(25)9-23)22(26)11-24/h1-8,11,16-17,23,25-26H,9-10H2/t16?,17-/m1/s1
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n/an/a 0.0920n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay


J Med Chem 45: 219-32 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50108151
PNG
(CHEMBL75164 | N-{2,3-Dihydroxy-1-[4-(4-trifluorome...)
Show SMILES OC[C@@H](O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C18H18F3NO8S/c19-18(20,21)30-14-3-1-12(2-4-14)29-13-5-7-15(8-6-13)31(27,28)10-16(17(25)9-23)22(26)11-24/h1-8,11,16-17,23,25-26H,9-10H2/t16?,17-/m1/s1
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n/an/a 0.0920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348677
PNG
(CHEMBL1801399)
Show SMILES CC(C)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O6S/c1-15(2)27-13-11-21(12-14-27,20(28)26-29)34(30,31)19-9-7-17(8-10-19)32-16-3-5-18(6-4-16)33-22(23,24)25/h3-10,15,29H,11-14H2,1-2H3,(H,26,28)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348647
PNG
(CHEMBL1801396)
Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O7S/c1-14(27)26-12-10-20(11-13-26,19(28)25-29)34(30,31)18-8-6-16(7-9-18)32-15-2-4-17(5-3-15)33-21(22,23)24/h2-9,29H,10-13H2,1H3,(H,25,28)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348684
PNG
(CHEMBL1801397)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H21F3N2O6S/c1-2-13-27-14-11-21(12-15-27,20(28)26-29)34(30,31)19-9-7-17(8-10-19)32-16-3-5-18(6-4-16)33-22(23,24)25/h1,3-10,29H,11-15H2,(H,26,28)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348686
PNG
(CHEMBL1801053)
Show SMILES CSc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C19H21NO6S2/c1-27-16-6-2-14(3-7-16)26-15-4-8-17(9-5-15)28(23,24)19(18(21)20-22)10-12-25-13-11-19/h2-9,22H,10-13H2,1H3,(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348687
PNG
(CHEMBL1801049)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C21H25NO7S/c1-15(2)28-16-3-5-17(6-4-16)29-18-7-9-19(10-8-18)30(25,26)21(20(23)22-24)11-13-27-14-12-21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a<0.100n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348656
PNG
(CHEMBL1800089)
Show SMILES ONC(=O)C1(CCN(CCN2CCOCC2)CC1)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H30F3N3O6S/c26-25(27,28)19-1-3-20(4-2-19)37-21-5-7-22(8-6-21)38(34,35)24(23(32)29-33)9-11-30(12-10-24)13-14-31-15-17-36-18-16-31/h1-8,33H,9-18H2,(H,29,32)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348648
PNG
(CHEMBL1801394)
Show SMILES CCOCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H27F3N2O7S/c1-2-33-16-15-28-13-11-22(12-14-28,21(29)27-30)36(31,32)20-9-7-18(8-10-20)34-17-3-5-19(6-4-17)35-23(24,25)26/h3-10,30H,2,11-16H2,1H3,(H,27,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348678
PNG
(CHEMBL1801422)
Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C22H24N2O7S/c25-21(23-26)22(9-11-24(12-10-22)15-1-2-15)32(27,28)18-6-3-16(4-7-18)31-17-5-8-19-20(13-17)30-14-29-19/h3-8,13,15,26H,1-2,9-12,14H2,(H,23,25)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a<0.100n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)

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/an/an/a



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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348683
PNG
(CHEMBL1801048)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H19NO7S/c20-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)19-22)9-11-25-12-10-18/h1-8,20,22H,9-12H2,(H,19,21)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.110n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070256
PNG
((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...)
Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B


Bioorg Med Chem Lett 8: 1163-8 (1999)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070257
PNG
((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...)
Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B


Bioorg Med Chem Lett 8: 1163-8 (1999)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348651
PNG
(CHEMBL1801430)
Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H23F3N2O6S/c23-22(24,25)33-18-5-3-16(4-6-18)32-17-7-9-19(10-8-17)34(30,31)21(20(28)26-29)11-13-27(14-12-21)15-1-2-15/h3-10,15,29H,1-2,11-14H2,(H,26,28)
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n/an/a 0.150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348646
PNG
(CHEMBL1801398)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c1-25-12-10-19(11-13-25,18(26)24-27)32(28,29)17-8-6-15(7-9-17)30-14-2-4-16(5-3-14)31-20(21,22)23/h2-9,27H,10-13H2,1H3,(H,24,26)
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n/an/a 0.180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343077
PNG
(CHEMBL1771212 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)
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n/an/a 0.180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-9 (MMP-9).


J Med Chem 41: 1209-17 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356961
PNG
(CHEMBL1916212)
Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348670
PNG
(CHEMBL1801052)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H18F3NO7S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348681
PNG
(CHEMBL1801412)
Show SMILES CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O6S/c1-2-30-18-5-7-19(8-6-18)31-20-9-11-21(12-10-20)32(28,29)23(22(26)24-27)13-15-25(16-14-23)17-3-4-17/h5-12,17,27H,2-4,13-16H2,1H3,(H,24,26)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

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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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 92 kDa gelatinase MMP-9 at 100 uM


Bioorg Med Chem Lett 5: 1637-1642 (1995)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078569
PNG
((S)-4-(Biphenyl-4-ylmethylsulfanyl)-N-hydroxy-2-[i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H34N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27,32H,17-20H2,1-3H3,(H,29,31)/t27-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 9: 1691-6 (1999)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 9: 1691-6 (1999)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348650
PNG
(CHEMBL1801431)
Show SMILES ONC(=O)C1(CCN(Cc2ccccn2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-6-4-19(5-7-21)36-20-8-10-22(11-9-20)38(34,35)24(23(32)30-33)12-15-31(16-13-24)17-18-3-1-2-14-29-18/h1-11,14,33H,12-13,15-17H2,(H,30,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103991
PNG
(4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C26H30N4O6S2/c1-36-22-9-11-23(12-10-22)38(34,35)30(18-25(31)28-17-21-8-5-14-27-16-21)24(26(32)29-33)13-15-37-19-20-6-3-2-4-7-20/h2-12,14,16,24,33H,13,15,17-19H2,1H3,(H,28,31)(H,29,32)
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Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103992
PNG
(2-[(Benzylcarbamoyl-methyl)-(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccc1)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H31N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h2-15,25,33H,16-20H2,1H3,(H,28,31)(H,29,32)
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n/an/a 0.200n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104002
PNG
(4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31)
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n/an/a 0.200n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103988
PNG
(4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-car...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccn1)c1ccccn1)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C31H33N5O6S2/c1-42-24-13-15-25(16-14-24)44(40,41)36(28(31(38)35-39)17-20-43-22-23-9-3-2-4-10-23)21-29(37)34-30(26-11-5-7-18-32-26)27-12-6-8-19-33-27/h2-16,18-19,28,30,39H,17,20-22H2,1H3,(H,34,37)(H,35,38)
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n/an/a 0.200n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103993
PNG
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)
Show SMILES COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C28H33N3O7S2/c1-37-23-10-8-21(9-11-23)18-29-27(32)19-31(40(35,36)25-14-12-24(38-2)13-15-25)26(28(33)30-34)16-17-39-20-22-6-4-3-5-7-22/h3-15,26,34H,16-20H2,1-2H3,(H,29,32)(H,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103996
PNG
(4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO
Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31)
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n/an/a 0.200n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3066-73 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50063912
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)c1ccccc1
Show InChI InChI=1S/C22H35N3O4/c1-3-4-5-6-7-8-10-15-18(16-19(26)25-29)21(27)24-20(22(28)23-2)17-13-11-9-12-14-17/h9,11-14,18,20,29H,3-8,10,15-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,20+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-9 (MMP-9).


J Med Chem 41: 1209-17 (1998)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343077
PNG
(CHEMBL1771212 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348664
PNG
(CHEMBL1801417)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)cc1
Show InChI InChI=1S/C24H30N2O6S/c1-17(2)31-19-5-7-20(8-6-19)32-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)18-3-4-18/h5-12,17-18,28H,3-4,13-16H2,1-2H3,(H,25,27)
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n/an/a 0.210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50246599
PNG
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)
Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Instituto Superior Técnico

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 51: 7968-79 (2008)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348652
PNG
(CHEMBL1801429)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)

More data for this
Ligand-Target Pair
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