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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50062734'   
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))
BDBM50062734
PNG
(CHEMBL3397714)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C35H33F3O5/c1-2-3-9-28(34(39)40)20-29-21-32(18-19-33(29)43-24-26-10-14-30(15-11-26)35(36,37)38)42-23-27-12-16-31(17-13-27)41-22-25-7-5-4-6-8-25/h4-8,10-21H,2-3,9,22-24H2,1H3,(H,39,40)/b28-20+
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.50E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.12.073
BindingDB Entry DOI: 10.7270/Q2280989
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50062734
PNG
(CHEMBL3397714)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C35H33F3O5/c1-2-3-9-28(34(39)40)20-29-21-32(18-19-33(29)43-24-26-10-14-30(15-11-26)35(36,37)38)42-23-27-12-16-31(17-13-27)41-22-25-7-5-4-6-8-25/h4-8,10-21H,2-3,9,22-24H2,1H3,(H,39,40)/b28-20+
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.80E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.12.073
BindingDB Entry DOI: 10.7270/Q2280989
More data for this
Ligand-Target Pair