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BDBM23464 hydroxamate deriv., 56::methyl (1R,2R)-2-(hydroxycarbamoyl)-1-(3-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)cyclopropane-1-carboxylate

InChI string: InChI=1S/C20H18F3NO5/c1-28-18(26)19(10-16(19)17(25)24-27)14-3-2-4-15(9-14)29-11-12-5-7-13(8-6-12)20(21,22)23/h2-9,16,27H,10-11H2,1H3,(H,24,25)/t16-,19-/m0/s1

SMILES: COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=HQSYCSALPNGTSD-LPHOPBHVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23464   
Target
(Institution)
LigandTarget
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
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM23464
PNG
(hydroxamate deriv., 56 | methyl (1R,2R)-2-(hydroxy...)
Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C20H18F3NO5/c1-28-18(26)19(10-16(19)17(25)24-27)14-3-2-4-15(9-14)29-11-12-5-7-13(8-6-12)20(21,22)23/h2-9,16,27H,10-11H2,1H3,(H,24,25)/t16-,19-/m0/s1
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AffyNet 
Article
PubMed
18 -10.5n/an/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


J Med Chem 51: 725-36 (2008)

More data for this
Ligand-Target Pair