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BDBM50220278 1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(2,2,2-trifluoroethyl)piperidin-2-yl)cyclopropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate::CHEMBL240071

SMILES: OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC(F)(F)F)N1S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=OEMOPPHKWFSUEF-AZUAARDMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220278   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50220278
PNG
(1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(2,2,2-tri...)
Show SMILES OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC(F)(F)F)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H31ClF3N3O5S/c24-17-4-6-19(7-5-17)36(33,34)30-18(16-23(25,26)27)2-1-3-20(30)22(8-9-22)35-21(32)29-12-10-28(11-13-29)14-15-31/h4-7,18,20,31H,1-3,8-16H2/t18-,20+/m0/s1
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MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 14n/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