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BDBM50226456 2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimidin-4(3H)-one::CHEMBL239639

SMILES: CN1C(=O)CC(C)(CCc2ccccc2)N=C1N

InChI Key: InChIKey=NHJCZSSEYRWDOJ-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 = 50226456   
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))
BDBM50226456
PNG
(2-amino-3,6-dimethyl-6-phenethyl-5,6-dihydropyrimi...)
Show SMILES CN1C(=O)CC(C)(CCc2ccccc2)N=C1N
Show InChI InChI=1S/C14H19N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7H,8-10H2,1-2H3,(H2,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


J Med Chem 50: 5912-25 (2007)

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