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BDBM23470 hydroxamate deriv., 62::methyl (1R,2R)-1-[3-(2-{3-[(1Z)-buta-1,3-dien-1-yl]phenyl}ethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate

SMILES: COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCCc2cccc(\C=C/C=C)c2)c1

InChI Key: InChIKey=YDDKZUMXWMGFOP-FSCAMMEHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23470   
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
TNF-alpha-Converting Enzyme


(Homo sapiens (Human))
BDBM23470
PNG
(hydroxamate deriv., 62 | methyl (1R,2R)-1-[3-(2-{3...)
Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCCc2cccc(\C=C/C=C)c2)c1 |r|
Show InChI InChI=1S/C24H25NO5/c1-3-4-7-17-8-5-9-18(14-17)12-13-30-20-11-6-10-19(15-20)24(23(27)29-2)16-21(24)22(26)25-28/h3-11,14-15,21,28H,1,12-13,16H2,2H3,(H,25,26)/b7-4-/t21-,24-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
50 -9.85n/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)


Article DOI: 10.1021/jm070376o
BindingDB Entry DOI: 10.7270/Q2Q23XKR
More data for this
Ligand-Target Pair