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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50484296'   
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))
BDBM50484296
PNG
(CHEMBL1837043)
Show SMILES FC(F)(F)c1ccc(cn1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccccc1 |TLB:10:13:15.17.16:24.19.23|
Show InChI InChI=1S/C21H19F3N4O2S/c22-21(23,24)20-7-6-16(11-25-20)31(29,30)28-15-8-14(13-4-2-1-3-5-13)9-19(28)17-12-26-27-18(17)10-15/h1-7,11-12,14-15,19H,8-10H2,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay


Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50484296
PNG
(CHEMBL1837043)
Show SMILES FC(F)(F)c1ccc(cn1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccccc1 |TLB:10:13:15.17.16:24.19.23|
Show InChI InChI=1S/C21H19F3N4O2S/c22-21(23,24)20-7-6-16(11-25-20)31(29,30)28-15-8-14(13-4-2-1-3-5-13)9-19(28)17-12-26-27-18(17)10-15/h1-7,11-12,14-15,19H,8-10H2,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.47E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated notch cleavage in human SNC-204B8 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair