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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM93325'   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM93325
PNG
(Carbamate {3,21}, 1)
Show SMILES OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C31H41F3N4O6S/c32-23-4-1-3-22(19-23)28-5-2-6-29(38(28)21-45(42,43)25-7-8-26(33)27(34)20-25)31(11-12-31)44-30(41)35-37-13-9-24(10-14-37)36(15-17-39)16-18-40/h1,3-4,7-8,19-20,24,28-29,39-40H,2,5-6,9-18,21H2,(H,35,41)/t28?,29-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.90n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62 (2008)


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair