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SMILES: CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC

InChI Key: InChIKey=INPIJMMJIYSUTN-INIZCTEOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50483754   
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))
BDBM50483754
PNG
(CHEMBL1770759)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC |r|
Show InChI InChI=1S/C21H26F2N4O4/c1-5-6-16(25-18(28)9-13-7-14(22)10-15(23)8-13)19(29)26-17-11-27(12-24-17)21(2,3)20(30)31-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,25,28)(H,26,29)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...


Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50483754
PNG
(CHEMBL1770759)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC |r|
Show InChI InChI=1S/C21H26F2N4O4/c1-5-6-16(25-18(28)9-13-7-14(22)10-15(23)8-13)19(29)26-17-11-27(12-24-17)21(2,3)20(30)31-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,25,28)(H,26,29)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay


Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair