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15 molecules are shown

Compile data set for download or QSAR
Wt: 379.4
BDBM50031788
Wt: 349.4
BDBM50031795
Wt: 403.5
BDBM50070454
Wt: 377.4
BDBM50070455
Wt: 363.4
BDBM50070457
Wt: 335.3
BDBM50069599
Wt: 377.4
BDBM50109167
Wt: 391.4
BDBM50109169
Wt: 349.4
BDBM50245248
Wt: 419.5
BDBM50290433
Wt: 377.4
BDBM50290438
Wt: 405.5
BDBM50290442
Wt: 461.6
BDBM50290450
Wt: 433.5
BDBM50290453
Wt: 391.5
BDBM50290456

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 81 hits for monomerid = 50031788,50031795,50070454,50070455,50070457,50069599,50109167,50109169,50245248,50290433,50290438,50290442,50290450,50290453,50290456   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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<1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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2n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase(HNC), MMP-8


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against human fibroblast stromelysin (HFS) was determined


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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4n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase(HNC), MMP-8


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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7n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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31n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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79n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human stromelysin, MMP-3


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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79n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against human neutrophil collagenase (HNC) was determined


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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89n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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427n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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430n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human stromelysin, MMP-3


J Med Chem 38: 2570-81 (1995)


Article DOI: 10.1021/jm00014a010
BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031788
PNG
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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430n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 343-348 (1995)


Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards human recombinant fibroblast collagenase


Bioorg Med Chem Lett 8: 29-34 (1999)


Article DOI: 10.1016/s0960-894x(97)10149-4
BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50290442
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C22H35N3O4/c1-3-4-5-6-7-11-14-18(16-20(26)25-29)21(27)24-19(22(28)23-2)15-17-12-9-8-10-13-17/h8-10,12-13,18-19,29H,3-7,11,14-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/t18-,19+/m1/s1
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n/an/a 0.603n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 1000...


Bioorg Med Chem Lett 8: 29-34 (1999)


Article DOI: 10.1016/s0960-894x(97)10149-4
BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens)
BDBM50069599
PNG
((R)-N*1*-((S)-1-Carbamoyl-2-phenyl-ethyl)-N*4*-hyd...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C17H25N3O4/c1-11(2)8-13(10-15(21)20-24)17(23)19-14(16(18)22)9-12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t13-,14+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells


Bioorg Med Chem Lett 8: 29-34 (1999)


Article DOI: 10.1016/s0960-894x(97)10149-4
BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070454
PNG
(1-[(R)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phenyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C1(CCCC1)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-15(2)13-17(22(21(28)25-29)11-7-8-12-22)19(26)24-18(20(27)23-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,29H,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070454
PNG
(1-[(R)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phenyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C1(CCCC1)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-15(2)13-17(22(21(28)25-29)11-7-8-12-22)19(26)24-18(20(27)23-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,29H,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (human))
BDBM50070455
PNG
((R)-N*1*-Hydroxy-3-isobutyl-2,2-dimethyl-N*4*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(C)(C)C(=O)NO
Show InChI InChI=1S/C20H31N3O4/c1-13(2)11-15(20(3,4)19(26)23-27)17(24)22-16(18(25)21-5)12-14-9-7-6-8-10-14/h6-10,13,15-16,27H,11-12H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50070454
PNG
(1-[(R)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phenyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C1(CCCC1)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-15(2)13-17(22(21(28)25-29)11-7-8-12-22)19(26)24-18(20(27)23-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,29H,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070455
PNG
((R)-N*1*-Hydroxy-3-isobutyl-2,2-dimethyl-N*4*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(C)(C)C(=O)NO
Show InChI InChI=1S/C20H31N3O4/c1-13(2)11-15(20(3,4)19(26)23-27)17(24)22-16(18(25)21-5)12-14-9-7-6-8-10-14/h6-10,13,15-16,27H,11-12H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50070455
PNG
((R)-N*1*-Hydroxy-3-isobutyl-2,2-dimethyl-N*4*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(C)(C)C(=O)NO
Show InChI InChI=1S/C20H31N3O4/c1-13(2)11-15(20(3,4)19(26)23-27)17(24)22-16(18(25)21-5)12-14-9-7-6-8-10-14/h6-10,13,15-16,27H,11-12H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50245248
PNG
((S)-N4-hydroxy-2-isobutyl-N1-((S)-1-(methylamino)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L from human kidney


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109167
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(2-oxo-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O
Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-15(12-17(24)22-27)18(25)21-16(19(26)20-8-9-23)11-14-6-4-3-5-7-14/h3-7,9,13,15-16,27H,8,10-12H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin L1


(Homo sapiens (human))
BDBM50109169
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-((S)-1-met...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C20H29N3O5/c1-13(2)9-16(11-18(25)23-28)19(26)22-17(20(27)21-14(3)12-24)10-15-7-5-4-6-8-15/h4-8,12-14,16-17,28H,9-11H2,1-3H3,(H,21,27)(H,22,26)(H,23,25)/t14-,16+,17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L from human kidney


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50109167
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(2-oxo-eth...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O
Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-15(12-17(24)22-27)18(25)21-16(19(26)20-8-9-23)11-14-6-4-3-5-7-14/h3-7,9,13,15-16,27H,8,10-12H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L from human kidney


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109169
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-((S)-1-met...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C20H29N3O5/c1-13(2)9-16(11-18(25)23-28)19(26)22-17(20(27)21-14(3)12-24)10-15-7-5-4-6-8-15/h4-8,12-14,16-17,28H,9-11H2,1-3H3,(H,21,27)(H,22,26)(H,23,25)/t14-,16+,17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50031795
PNG
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1
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n/an/a 0.0460n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50245248
PNG
((S)-N4-hydroxy-2-isobutyl-N1-((S)-1-(methylamino)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50245248
PNG
((S)-N4-hydroxy-2-isobutyl-N1-((S)-1-(methylamino)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50245248
PNG
((S)-N4-hydroxy-2-isobutyl-N1-((S)-1-(methylamino)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50245248
PNG
((S)-N4-hydroxy-2-isobutyl-N1-((S)-1-(methylamino)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50245248
PNG
((S)-N4-hydroxy-2-isobutyl-N1-((S)-1-(methylamino)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50290433
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C23H37N3O4/c1-3-4-5-6-7-8-12-15-19(17-21(27)26-30)22(28)25-20(23(29)24-2)16-18-13-10-9-11-14-18/h9-11,13-14,19-20,30H,3-8,12,15-17H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/t19-,20+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibition of human recombinant Matrilysin


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
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