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BDBM50226437 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE::2-amino-6-phenethyl-3H-pyrimidin-4-one::2-amino-6-phenethylpyrimidin-4(3H)-one::CHEMBL235821

SMILES: Nc1nc(CCc2ccccc2)cc(=O)[nH]1

InChI Key: InChIKey=CNBSPUGFNQVSJS-UHFFFAOYSA-N

Data: 2 Kd

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 2 hits for monomerid = 50226437   
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))
BDBM50226437
PNG
(2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE | 2-a...)
Show SMILES Nc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/an/a 6.60E+5n/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity to BACE1 expressed in HEK293 cells by Biocore ISA


Citation and Details
More data for this
Ligand-Target Pair
Endothiapepsin


(Cryphonectria parasitica)
BDBM50226437
PNG
(2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE | 2-a...)
Show SMILES Nc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
MMDB
PDB
Article
PubMed
n/an/an/a 2.20E+5n/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity to endothiapepsin by Biocore ISA


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