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BDBM50477939 CHEMBL253092

SMILES: C[C@H](CCCNC(=O)[C@@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=NYGIJFDXYBHSLD-CJAUYULYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50477939   
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
Presenilin-1


(Homo sapiens (Human))
BDBM50477939
PNG
(CHEMBL253092)
Show SMILES C[C@H](CCCNC(=O)[C@@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.105
BindingDB Entry DOI: 10.7270/Q2K0772B
More data for this
Ligand-Target Pair