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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 = 'BDBM23478'   
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))
BDBM23478
PNG
((1R,2R)-2-N-hydroxy-1-N-methyl-1-{3-[(2-methylquin...)
Show SMILES CNC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
Show InChI InChI=1S/C23H23N3O4/c1-14-10-15(18-8-3-4-9-20(18)25-14)13-30-17-7-5-6-16(11-17)23(22(28)24-2)12-19(23)21(27)26-29/h3-11,19,29H,12-13H2,1-2H3,(H,24,28)(H,26,27)/t19-,23-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
100 -39.6n/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