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BDBM50300239 3-(3-(((furan-2-ylmethyl)(methyl)amino)methyl)phenethyl)pyridin-2-amine::3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine::CHEMBL569654

SMILES: CN(Cc1ccco1)Cc1cccc(CCc2cccnc2N)c1

InChI Key: InChIKey=PGBSGPMEMSPFFE-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50300239   
Target
(Institution)
LigandTarget
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 (BACE)


(Homo sapiens (Human))
BDBM50300239
PNG
(3-(3-(((furan-2-ylmethyl)(methyl)amino)methyl)phen...)
Show SMILES CN(Cc1ccco1)Cc1cccc(CCc2cccnc2N)c1
Show InChI InChI=1S/C20H23N3O/c1-23(15-19-8-4-12-24-19)14-17-6-2-5-16(13-17)9-10-18-7-3-11-22-20(18)21/h2-8,11-13H,9-10,14-15H2,1H3,(H2,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by HTRF assay


J Med Chem 53: 942-50 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)