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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50062619'   
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))
BDBM50062619
PNG
(CHEMBL3397725)
Show SMILES CCCC\C(=C/c1cc(O)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F3O4/c1-2-3-4-15(20(26)27)11-16-12-18(25)9-10-19(16)28-13-14-5-7-17(8-6-14)21(22,23)24/h5-12,25H,2-4,13H2,1H3,(H,26,27)/b15-11+
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


Bioorg Med Chem Lett 25: 841-6 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50062619
PNG
(CHEMBL3397725)
Show SMILES CCCC\C(=C/c1cc(O)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H21F3O4/c1-2-3-4-15(20(26)27)11-16-12-18(25)9-10-19(16)28-13-14-5-7-17(8-6-14)21(22,23)24/h5-12,25H,2-4,13H2,1H3,(H,26,27)/b15-11+
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>4.00E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Activation of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as amyl...


Bioorg Med Chem Lett 25: 841-6 (2015)

More data for this
Ligand-Target Pair