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BDBM50340596 Acetic acid 5'-acetoxy-4,4'-[1,1';3',1'']terphenyl-2'-yl ester::CHEMBL1762687

SMILES: CC(=O)Oc1cc(c(OC(C)=O)c(c1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=CRDNNJLHCXVFKI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340596   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50340596
PNG
(Acetic acid 5'-acetoxy-4,4'-[1,1';3',1'']terphenyl...)
Show SMILES CC(=O)Oc1cc(c(OC(C)=O)c(c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18O4/c1-15(23)25-19-13-20(17-9-5-3-6-10-17)22(26-16(2)24)21(14-19)18-11-7-4-8-12-18/h3-14H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 2183-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.023
BindingDB Entry DOI: 10.7270/Q2JS9QRG
More data for this
Ligand-Target Pair