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1 similar compounds to monomer 50226437

Compile data set for download or QSAR
Wt: 229.2
BDBM50226446

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50226446   
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))
BDBM50226446
PNG
(2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...)
Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O
Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20E+5n/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)


Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50226446
PNG
(2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...)
Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O
Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by SPR assay


J Med Chem 50: 5912-25 (2007)


Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50226446
PNG
(2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...)
Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O
Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by HTRF assay


J Med Chem 55: 8838-58 (2012)


Article DOI: 10.1021/jm3011405
BindingDB Entry DOI: 10.7270/Q2W66MXK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50226446
PNG
(2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...)
Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O
Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.71E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 (43-454 amino acids) expressed in Escherichia coli BL21 using SEVNLDAEFRHDSGYEK-biotinafter 3 hrs by ELISA


J Med Chem 55: 8838-58 (2012)


Article DOI: 10.1021/jm3011405
BindingDB Entry DOI: 10.7270/Q2W66MXK
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50226446
PNG
(2-amino-3-methyl-6-phenethyl-3H-pyrimidin-4-one | ...)
Show SMILES Cn1c(N)nc(CCc2ccccc2)cc1=O
Show InChI InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by IGEN assay


J Med Chem 50: 5912-25 (2007)


Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D
More data for this
Ligand-Target Pair