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BDBM50284755 2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentanoic acid ((11S,18R)-9-oxo-1,8-diaza-tricyclo[10.6.1.0*13,18*]nonadeca-12(19),13(18),14,16-tetraen-10-yl)-amide::CHEMBL30980

SMILES: CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21

InChI Key: InChIKey=IZYWROOEWSDARX-IRLDBZIGSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50284755   
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))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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Article
1n/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))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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2n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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Article
15n/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))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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Article
18n/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