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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50483764'   
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))
BDBM50483764
PNG
(CHEMBL1770907)
Show SMILES CCC[C@H](NC1CCc2cc(Cl)ccc2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C26H38ClN5O/c1-4-7-23(29-22-11-9-19-14-21(27)10-8-20(19)15-22)25(33)30-24-16-32(18-28-24)26(2,3)17-31-12-5-6-13-31/h8,10,14,16,18,22-23,29H,4-7,9,11-13,15,17H2,1-3H3,(H,30,33)/t22?,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90n/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: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50483764
PNG
(CHEMBL1770907)
Show SMILES CCC[C@H](NC1CCc2cc(Cl)ccc2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C26H38ClN5O/c1-4-7-23(29-22-11-9-19-14-21(27)10-8-20(19)15-22)25(33)30-24-16-32(18-28-24)26(2,3)17-31-12-5-6-13-31/h8,10,14,16,18,22-23,29H,4-7,9,11-13,15,17H2,1-3H3,(H,30,33)/t22?,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair