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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 = 'BDBM93326'   
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))
BDBM93326
PNG
(Carbamate {3,19}, 2)
Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C31H39F3N4O4S/c32-23-6-3-5-22(19-23)28-7-4-8-29(38(28)21-43(40,41)25-9-10-26(33)27(34)20-25)31(13-14-31)42-30(39)35-37-17-11-24(12-18-37)36-15-1-2-16-36/h3,5-6,9-10,19-20,24,28-29H,1-2,4,7-8,11-18,21H2,(H,35,39)/t28?,29-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.10n/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