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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50040094   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13126
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1
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11n/an/an/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM13126
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1
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23n/an/an/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM13126
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1
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27n/an/an/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(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 |r|
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 0.00600n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(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 |r|
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 0.0200n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil 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 |r|
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 0.0200n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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 |r|
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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil 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 |r|
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 0.0300n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil 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 |r|
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 0.0400n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(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 |r|
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 0.0400n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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 |r|
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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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 |r|
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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV 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 |r|
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 0.0700n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV 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 |r|
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 0.100n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV 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 |r|
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 0.130n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389104
PNG
(CHEMBL2064552)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H30FN5O9S/c1-11(2)17(20(31)24-32)27(37(33,34)14-6-4-13(35-3)5-7-14)9-12-8-26(25-23-12)21-16(22)19(30)18(29)15(10-28)36-21/h4-8,11,15-19,21,28-30,32H,9-10H2,1-3H3,(H,24,31)/t15-,16-,17-,18-,19-,21-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389107
PNG
(CHEMBL2064541)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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n/an/a 0.370n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389104
PNG
(CHEMBL2064552)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H30FN5O9S/c1-11(2)17(20(31)24-32)27(37(33,34)14-6-4-13(35-3)5-7-14)9-12-8-26(25-23-12)21-16(22)19(30)18(29)15(10-28)36-21/h4-8,11,15-19,21,28-30,32H,9-10H2,1-3H3,(H,24,31)/t15-,16-,17-,18-,19-,21-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389104
PNG
(CHEMBL2064552)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H30FN5O9S/c1-11(2)17(20(31)24-32)27(37(33,34)14-6-4-13(35-3)5-7-14)9-12-8-26(25-23-12)21-16(22)19(30)18(29)15(10-28)36-21/h4-8,11,15-19,21,28-30,32H,9-10H2,1-3H3,(H,24,31)/t15-,16-,17-,18-,19-,21-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389104
PNG
(CHEMBL2064552)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H30FN5O9S/c1-11(2)17(20(31)24-32)27(37(33,34)14-6-4-13(35-3)5-7-14)9-12-8-26(25-23-12)21-16(22)19(30)18(29)15(10-28)36-21/h4-8,11,15-19,21,28-30,32H,9-10H2,1-3H3,(H,24,31)/t15-,16-,17-,18-,19-,21-/m1/s1
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n/an/a 0.600n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389107
PNG
(CHEMBL2064541)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1
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n/an/a 0.600n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
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n/an/a 0.900n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389103
PNG
(CHEMBL2064551)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOc2cccnc2F)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C28H39FN6O9S/c1-21(2)26(28(36)32-37)35(45(38,39)24-8-6-23(40-3)7-9-24)20-22-19-34(33-31-22)11-12-41-13-14-42-15-16-43-17-18-44-25-5-4-10-30-27(25)29/h4-10,19,21,26,37H,11-18,20H2,1-3H3,(H,32,36)/t26-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389099
PNG
(CHEMBL2064544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C40H62FN5O14S/c1-33(2)39(40(47)43-48)46(61(49,50)38-10-8-36(51-3)9-11-38)30-34-4-6-37(7-5-34)60-29-28-58-25-24-55-19-17-53-15-13-45-31-35(42-44-45)32-59-27-26-57-23-22-56-21-20-54-18-16-52-14-12-41/h4-11,31,33,39,48H,12-30,32H2,1-3H3,(H,43,47)/t39-/m1/s1
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University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
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University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389094
PNG
(CHEMBL2064545)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC#C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C15H20N2O5S/c1-5-10-17(14(11(2)3)15(18)16-19)23(20,21)13-8-6-12(22-4)7-9-13/h1,6-9,11,14,19H,10H2,2-4H3,(H,16,18)/t14-/m1/s1
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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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50225397
PNG
((R)-2-(N-benzyl-4-(2-fluoroethoxy)phenylsulfonamid...)
Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO
Show InChI InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
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University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389107
PNG
(CHEMBL2064541)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389099
PNG
(CHEMBL2064544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C40H62FN5O14S/c1-33(2)39(40(47)43-48)46(61(49,50)38-10-8-36(51-3)9-11-38)30-34-4-6-37(7-5-34)60-29-28-58-25-24-55-19-17-53-15-13-45-31-35(42-44-45)32-59-27-26-57-23-22-56-21-20-54-18-16-52-14-12-41/h4-11,31,33,39,48H,12-30,32H2,1-3H3,(H,43,47)/t39-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389103
PNG
(CHEMBL2064551)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOc2cccnc2F)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C28H39FN6O9S/c1-21(2)26(28(36)32-37)35(45(38,39)24-8-6-23(40-3)7-9-24)20-22-19-34(33-31-22)11-12-41-13-14-42-15-16-43-17-18-44-25-5-4-10-30-27(25)29/h4-10,19,21,26,37H,11-18,20H2,1-3H3,(H,32,36)/t26-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389099
PNG
(CHEMBL2064544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C40H62FN5O14S/c1-33(2)39(40(47)43-48)46(61(49,50)38-10-8-36(51-3)9-11-38)30-34-4-6-37(7-5-34)60-29-28-58-25-24-55-19-17-53-15-13-45-31-35(42-44-45)32-59-27-26-57-23-22-56-21-20-54-18-16-52-14-12-41/h4-11,31,33,39,48H,12-30,32H2,1-3H3,(H,43,47)/t39-/m1/s1
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n/an/a 3n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389097
PNG
(CHEMBL2064540)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C38H58FN5O13S/c1-31(2)37(38(45)41-46)44(58(47,48)36-10-8-34(49-3)9-11-36)28-32-4-6-35(7-5-32)57-27-26-55-23-22-53-20-21-54-24-25-56-30-33-29-43(42-40-33)13-15-51-17-19-52-18-16-50-14-12-39/h4-11,29,31,37,46H,12-28,30H2,1-3H3,(H,41,45)/t37-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50225397
PNG
((R)-2-(N-benzyl-4-(2-fluoroethoxy)phenylsulfonamid...)
Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO
Show InChI InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389099
PNG
(CHEMBL2064544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C40H62FN5O14S/c1-33(2)39(40(47)43-48)46(61(49,50)38-10-8-36(51-3)9-11-38)30-34-4-6-37(7-5-34)60-29-28-58-25-24-55-19-17-53-15-13-45-31-35(42-44-45)32-59-27-26-57-23-22-56-21-20-54-18-16-52-14-12-41/h4-11,31,33,39,48H,12-30,32H2,1-3H3,(H,43,47)/t39-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389103
PNG
(CHEMBL2064551)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOc2cccnc2F)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C28H39FN6O9S/c1-21(2)26(28(36)32-37)35(45(38,39)24-8-6-23(40-3)7-9-24)20-22-19-34(33-31-22)11-12-41-13-14-42-15-16-43-17-18-44-25-5-4-10-30-27(25)29/h4-10,19,21,26,37H,11-18,20H2,1-3H3,(H,32,36)/t26-/m1/s1
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n/an/a 4n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389097
PNG
(CHEMBL2064540)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C38H58FN5O13S/c1-31(2)37(38(45)41-46)44(58(47,48)36-10-8-34(49-3)9-11-36)28-32-4-6-35(7-5-32)57-27-26-55-23-22-53-20-21-54-24-25-56-30-33-29-43(42-40-33)13-15-51-17-19-52-18-16-50-14-12-39/h4-11,29,31,37,46H,12-28,30H2,1-3H3,(H,41,45)/t37-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389094
PNG
(CHEMBL2064545)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC#C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C15H20N2O5S/c1-5-10-17(14(11(2)3)15(18)16-19)23(20,21)13-8-6-12(22-4)7-9-13/h1,6-9,11,14,19H,10H2,2-4H3,(H,16,18)/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389097
PNG
(CHEMBL2064540)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C38H58FN5O13S/c1-31(2)37(38(45)41-46)44(58(47,48)36-10-8-34(49-3)9-11-36)28-32-4-6-35(7-5-32)57-27-26-55-23-22-53-20-21-54-24-25-56-30-33-29-43(42-40-33)13-15-51-17-19-52-18-16-50-14-12-39/h4-11,29,31,37,46H,12-28,30H2,1-3H3,(H,41,45)/t37-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389103
PNG
(CHEMBL2064551)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOc2cccnc2F)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C28H39FN6O9S/c1-21(2)26(28(36)32-37)35(45(38,39)24-8-6-23(40-3)7-9-24)20-22-19-34(33-31-22)11-12-41-13-14-42-15-16-43-17-18-44-25-5-4-10-30-27(25)29/h4-10,19,21,26,37H,11-18,20H2,1-3H3,(H,32,36)/t26-/m1/s1
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University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389097
PNG
(CHEMBL2064540)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C38H58FN5O13S/c1-31(2)37(38(45)41-46)44(58(47,48)36-10-8-34(49-3)9-11-36)28-32-4-6-35(7-5-32)57-27-26-55-23-22-53-20-21-54-24-25-56-30-33-29-43(42-40-33)13-15-51-17-19-52-18-16-50-14-12-39/h4-11,29,31,37,46H,12-28,30H2,1-3H3,(H,41,45)/t37-/m1/s1
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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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389095
PNG
(CHEMBL2064546)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C24H31N5O8S2/c1-17(2)23(24(30)26-31)29(38(32,33)21-11-7-20(36-4)8-12-21)16-19-15-28(27-25-19)13-14-37-39(34,35)22-9-5-18(3)6-10-22/h5-12,15,17,23,31H,13-14,16H2,1-4H3,(H,26,30)/t23-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 6n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389102
PNG
(CHEMBL2064550)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCN=[N+]=[N-])nn1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C23H36N8O8S/c1-18(2)22(23(32)27-33)31(40(34,35)21-6-4-20(36-3)5-7-21)17-19-16-30(29-26-19)9-11-38-13-15-39-14-12-37-10-8-25-28-24/h4-7,16,18,22,33H,8-15,17H2,1-3H3,(H,27,32)/t22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389107
PNG
(CHEMBL2064541)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
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