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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50492082'   
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))
BDBM50492082
PNG
(CHEMBL2396959)
Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1c2cccc1Cl |r,THB:11:10:25.24:2.7.3|
Show InChI InChI=1S/C19H13ClF3N3O2S/c20-14-6-2-5-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-4-1-3-10(7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.039
BindingDB Entry DOI: 10.7270/Q2Q81H1X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492082
PNG
(CHEMBL2396959)
Show SMILES [H][C@]12Cc3n[nH]cc3[C@]([H])(N1S(=O)(=O)c1cccc(c1)C(F)(F)F)c1c2cccc1Cl |r,THB:11:10:25.24:2.7.3|
Show InChI InChI=1S/C19H13ClF3N3O2S/c20-14-6-2-5-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-4-1-3-10(7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using Notch as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.039
BindingDB Entry DOI: 10.7270/Q2Q81H1X
More data for this
Ligand-Target Pair