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BDBM50063911 (R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbamoyl-phenyl-methyl)-succinamide::CHEMBL279964

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)c1ccccc1

InChI Key: InChIKey=GTBJTISRJIZWKE-HIFRSBDPSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50063911   
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-14 (MMP14)


(Homo sapiens (Human))
BDBM50063911
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbam...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H25N3O4/c1-11(2)9-13(10-14(21)20-24)16(22)19-15(17(23)18-3)12-7-5-4-6-8-12/h4-8,11,13,15,24H,9-10H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t13-,15+/m1/s1
PDB

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PC sid
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1)


J Med Chem 41: 1209-17 (1998)


Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063911
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbam...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H25N3O4/c1-11(2)9-13(10-14(21)20-24)16(22)19-15(17(23)18-3)12-7-5-4-6-8-12/h4-8,11,13,15,24H,9-10H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t13-,15+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-9 (MMP-9).


J Med Chem 41: 1209-17 (1998)


Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063911
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbam...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H25N3O4/c1-11(2)9-13(10-14(21)20-24)16(22)19-15(17(23)18-3)12-7-5-4-6-8-12/h4-8,11,13,15,24H,9-10H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t13-,15+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1).


J Med Chem 41: 1209-17 (1998)


Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50063911
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbam...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H25N3O4/c1-11(2)9-13(10-14(21)20-24)16(22)19-15(17(23)18-3)12-7-5-4-6-8-12/h4-8,11,13,15,24H,9-10H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t13-,15+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-3 (MMP-3).


J Med Chem 41: 1209-17 (1998)


Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063911
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbam...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H25N3O4/c1-11(2)9-13(10-14(21)20-24)16(22)19-15(17(23)18-3)12-7-5-4-6-8-12/h4-8,11,13,15,24H,9-10H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t13-,15+/m1/s1
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Article
PubMed
n/an/a 42.5n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-2 (MMP-2).


J Med Chem 41: 1209-17 (1998)


Article DOI: 10.1021/jm970404a
BindingDB Entry DOI: 10.7270/Q2SQ8ZHB
More data for this
Ligand-Target Pair