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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 = 'BDBM50220276'   
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))
BDBM50220276
PNG
((2S)-9-(4-chlorophenylsulfonyl)-9-aza-bicyclo[3.3....)
Show SMILES CCC1(O)CCN(CC1)C(=O)O[C@H]1CCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H31ClN2O5S/c1-2-22(27)12-14-24(15-13-22)21(26)30-20-11-8-17-4-3-5-19(20)25(17)31(28,29)18-9-6-16(23)7-10-18/h6-7,9-10,17,19-20,27H,2-5,8,11-15H2,1H3/t17?,19?,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair