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Compile Data Set for Download or QSAR

Found 3247 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9 (MMP-9)' AND taxid = 9606   
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
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.0610n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50024382
PNG
(CHEMBL189690)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)/t23-,32?/m1/s1
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0.0794n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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0.0800n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
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0.0970n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50024388
PNG
(CHEMBL190621)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)/t23-,33?/m1/s1
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0.100n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
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0.100n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of MMP-9 (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11873
PNG
(N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
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0.290 -54.4n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
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PubMed
0.300 -54.4n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50024390
PNG
(CHEMBL372702)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)/t23-,31?/m1/s1
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0.310n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50109626
PNG
(Biphenyl-4-yl-(3-hydroxycarbamoyl-3,4-dihydro-1H-i...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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0.310n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50031790
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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0.310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11877
PNG
(N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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0.400 -53.6n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062304
PNG
((R)-2-Hexyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C22H32N4O4/c1-3-4-5-6-9-15(13-20(27)26-30)21(28)25-19(22(29)23-2)12-16-14-24-18-11-8-7-10-17(16)18/h7-8,10-11,14-15,19,24,30H,3-6,9,12-13H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50088126
PNG
(CHEMBL293528 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-2-10-20(11-3-16)38(34,35)26-23(30)24-18-6-12-21(13-7-18)39(36,37)27(15-22(29)25-31)14-17-4-8-19(9-5-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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0.5n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062345
PNG
((R)-2-Butyl-N*4*-hydroxy-N*1*-[(S)-2-(1H-indol-3-y...)
Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H28N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h5-6,8-9,12-13,17,22,28H,3-4,7,10-11H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(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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0.550n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(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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0.570n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(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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0.580n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9 (MMP-9).


J Med Chem 43: 305-41 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062311
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-1-(3-morphol...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C28H40N4O5/c1-20(2)17-23(19-26(33)31-36)27(34)30-25(18-22-9-5-8-21-7-3-4-10-24(21)22)28(35)29-11-6-12-32-13-15-37-16-14-32/h3-5,7-10,20,23,25,36H,6,11-19H2,1-2H3,(H,29,35)(H,30,34)(H,31,33)/t23-,25-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50024402
PNG
(CHEMBL190232)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)/t22-,32?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11875
PNG
(1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...)
Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)
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0.600 -52.6n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11360
PNG
(Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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0.600 -52.1n/an/an/an/an/a6.022



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50109625
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)
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0.600n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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0.600 -52.1n/an/an/an/an/a6.022



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50088118
PNG
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50086781
PNG
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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0.603n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50088118
PNG
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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0.603n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062318
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C24H36N4O4/c1-3-4-5-6-7-8-11-17(15-22(29)28-32)23(30)27-21(24(31)25-2)14-18-16-26-20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21,26,32H,3-8,11,14-15H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062294
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)11-17(13-23(31)30-34)24(32)29-22(25(33)28-15-19-7-5-6-10-26-19)12-18-14-27-21-9-4-3-8-20(18)21/h3-10,14,16-17,22,27,34H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t17-,22+/m1/s1
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0.680n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(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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0.690n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50160855
PNG
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)
Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11874
PNG
(N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)
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0.700 -52.3n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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0.700n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062336
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1cnc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H28N4O4/c1-13(2)8-16(11-19(26)25-29)20(27)24-18(21(28)22-3)10-14-9-15-6-4-5-7-17(15)23-12-14/h4-7,9,12-13,16,18,29H,8,10-11H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,18-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50160855
PNG
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)
Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)
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0.720n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50160851
PNG
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)
Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C20H15N3O7/c24-15-9-10-20(17(27)21-19(29)22-18(20)28)23(15)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)16(25)26/h1-8H,9-10H2,(H,25,26)(H2,21,22,27,28,29)
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0.720n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50160851
PNG
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)
Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C20H15N3O7/c24-15-9-10-20(17(27)21-19(29)22-18(20)28)23(15)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)16(25)26/h1-8H,9-10H2,(H,25,26)(H2,21,22,27,28,29)
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0.724n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50160855
PNG
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)
Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)
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0.724n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062293
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-hydroxy-ethylcarba...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show InChI InChI=1S/C21H30N4O5/c1-13(2)9-14(11-19(27)25-30)20(28)24-18(21(29)22-7-8-26)10-15-12-23-17-6-4-3-5-16(15)17/h3-6,12-14,18,23,26,30H,7-11H2,1-2H3,(H,22,29)(H,24,28)(H,25,27)/t14-,18+/m1/s1
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0.760n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062353
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1
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0.780n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50088065
PNG
(CHEMBL54054 | N-Hydroxy-2-[(4-nitro-benzyl)-(3-tri...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O6S/c17-16(18,19)12-2-1-3-14(8-12)29(27,28)21(10-15(23)20-24)9-11-4-6-13(7-5-11)22(25)26/h1-8,24H,9-10H2,(H,20,23)
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0.800n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062350
PNG
((R)-N*1*-((R)-2-Benzo[b]thiophen-3-yl-1-methylcarb...)
Show SMILES CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H27N3O4S/c1-12(2)8-13(10-18(24)23-27)19(25)22-16(20(26)21-3)9-14-11-28-17-7-5-4-6-15(14)17/h4-7,11-13,16,27H,8-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50160852
PNG
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)
Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28)
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0.870n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50088066
PNG
(CHEMBL439931 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H21N5O9S2/c28-21(24-30)15-26(14-16-6-10-18(11-7-16)27(31)32)38(35,36)20-12-8-17(9-13-20)23-22(29)25-37(33,34)19-4-2-1-3-5-19/h1-13,30H,14-15H2,(H,24,28)(H2,23,25,29)
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0.900n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50102594
PNG
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Homo sapiens (Human))
BDBM50062302
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(t...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1
Show InChI InChI=1S/C23H29N5O4S/c1-14(2)9-15(11-20(29)28-32)22(30)27-19(23(31)26-13-21-24-7-8-33-21)10-16-12-25-18-6-4-3-5-17(16)18/h3-8,12,14-15,19,25,32H,9-11,13H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t15-,19+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


Citation and Details
More data for this
Ligand-Target Pair
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