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BDBM50121956 4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester::CHEMBL152164

SMILES: CCOC(=O)CC(=O)C(F)(F)F

InChI Key: InChIKey=OCJKUQIPRNZDTK-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121956   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50121956
PNG
(4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester | C...)
Show SMILES CCOC(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
PDB
MMDB

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Article
PubMed
n/an/an/a>2.50E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding to stromelysin (MMP-3) in place of acetohydroxamic acid.


J Med Chem 45: 5628-39 (2002)


Article DOI: 10.1021/jm020160g
BindingDB Entry DOI: 10.7270/Q20C4V3M
More data for this
Ligand-Target Pair