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BDBM50456667 CHEMBL4206562

SMILES: O=C1N(CCCOc2ccc(cc2)-c2nc3ccccn3c2NC2CCCCC2)C(=O)c2ccccc12

InChI Key: InChIKey=DIUNUCMXDITTTQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50456667   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50456667
PNG
(CHEMBL4206562)
Show SMILES O=C1N(CCCOc2ccc(cc2)-c2nc3ccccn3c2NC2CCCCC2)C(=O)c2ccccc12
Show InChI InChI=1S/C30H30N4O3/c35-29-24-11-4-5-12-25(24)30(36)34(29)19-8-20-37-23-16-14-21(15-17-23)27-28(31-22-9-2-1-3-10-22)33-18-7-6-13-26(33)32-27/h4-7,11-18,22,31H,1-3,8-10,19-20H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
105n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate after 90 mins by FR...


Eur J Med Chem 138: 729-737 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.040
BindingDB Entry DOI: 10.7270/Q2NC63S4
More data for this
Ligand-Target Pair