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2 similar compounds to monomer 50284755

Compile data set for download or QSAR
Wt: 456.5
BDBM50086884
Wt: 429.6
BDBM50284754

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50086884,50284754   
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-1 (MMP1)


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
0.100n/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: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
0.400n/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: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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PubMed
1n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
binding affinity towards HIV-1 Protease enzyme


J Med Chem 43: 1271-81 (2001)


Article DOI: 10.1021/jm990315t
BindingDB Entry DOI: 10.7270/Q23779F5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284754
PNG
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)
Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1
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2.30n/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: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
9n/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: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284754
PNG
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)
Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1
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Article
114n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284754
PNG
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)
Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1
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>800n/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: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair