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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50483749'   
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
Presenilin-1


(Homo sapiens (Human))
BDBM50483749
PNG
(CHEMBL1770886)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C22H29F2N5O2/c1-15(26-20(30)10-16-8-17(23)11-18(24)9-16)21(31)27-19-12-29(14-25-19)22(2,3)13-28-6-4-5-7-28/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/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))
BDBM50483749
PNG
(CHEMBL1770886)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C22H29F2N5O2/c1-15(26-20(30)10-16-8-17(23)11-18(24)9-16)21(31)27-19-12-29(14-25-19)22(2,3)13-28-6-4-5-7-28/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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