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SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F

InChI Key: InChIKey=MAYCNKJOJLHPKK-QWRGUYRKSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50287620   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287620
PNG
((S)-2-[(R)-3-Mercapto-2-(2,2,2-trifluoro-acetylami...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F
Show InChI InChI=1S/C15H17F3N2O4S/c1-24-13(22)10(7-9-5-3-2-4-6-9)19-12(21)11(8-25)20-14(23)15(16,17)18/h2-6,10-11,25H,7-8H2,1H3,(H,19,21)(H,20,23)/t10-,11-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 6: 1905-1910 (1996)


Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50287620
PNG
((S)-2-[(R)-3-Mercapto-2-(2,2,2-trifluoro-acetylami...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F
Show InChI InChI=1S/C15H17F3N2O4S/c1-24-13(22)10(7-9-5-3-2-4-6-9)19-12(21)11(8-25)20-14(23)15(16,17)18/h2-6,10-11,25H,7-8H2,1H3,(H,19,21)(H,20,23)/t10-,11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9)


Bioorg Med Chem Lett 6: 1905-1910 (1996)


Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D
More data for this
Ligand-Target Pair