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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TNF-alpha-Converting Enzyme' and Ligand = 'BDBM23471'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TNF-alpha-Converting Enzyme


(Homo sapiens (Human))
BDBM23471
PNG
(hydroxamate deriv., 63 | methyl (1R,2R)-2-(hydroxy...)
Show SMILES COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(Oc2ccc3ccccc3c2)c1 |r|
Show InChI InChI=1S/C22H19NO5/c1-27-21(25)22(13-19(22)20(24)23-26)16-7-4-8-17(12-16)28-18-10-9-14-5-2-3-6-15(14)11-18/h2-12,19,26H,13H2,1H3,(H,23,24)/t19-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
70 -40.4n/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