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BDBM50063914 (R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-methyl)-2-phenethyl-succinamide::CHEMBL19623

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1

InChI Key: InChIKey=KEPYRBFIGNMAQF-MJGOQNOKSA-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 = 50063914   
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-9


(Homo sapiens (Human))
BDBM50063914
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H25N3O4/c1-22-21(27)19(16-10-6-3-7-11-16)23-20(26)17(14-18(25)24-28)13-12-15-8-4-2-5-9-15/h2-11,17,19,28H,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,25)/t17-,19+/m1/s1
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n/an/a 11n/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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50063914
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H25N3O4/c1-22-21(27)19(16-10-6-3-7-11-16)23-20(26)17(14-18(25)24-28)13-12-15-8-4-2-5-9-15/h2-11,17,19,28H,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,25)/t17-,19+/m1/s1
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n/an/a 105n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063914
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H25N3O4/c1-22-21(27)19(16-10-6-3-7-11-16)23-20(26)17(14-18(25)24-28)13-12-15-8-4-2-5-9-15/h2-11,17,19,28H,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,25)/t17-,19+/m1/s1
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n/an/a 92n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063914
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H25N3O4/c1-22-21(27)19(16-10-6-3-7-11-16)23-20(26)17(14-18(25)24-28)13-12-15-8-4-2-5-9-15/h2-11,17,19,28H,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,25)/t17-,19+/m1/s1
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n/an/a 46.3n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50063914
PNG
((R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H25N3O4/c1-22-21(27)19(16-10-6-3-7-11-16)23-20(26)17(14-18(25)24-28)13-12-15-8-4-2-5-9-15/h2-11,17,19,28H,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,25)/t17-,19+/m1/s1
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n/an/a 17n/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