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/Host (Institution)	Ligand	Target/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	pH	Temp °C
Endothiapepsin (Cryphonectria parasitica)	BDBM50226437 (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 Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity to endothiapepsin by Biocore ISA				J Med Chem 50: 5903-11 (2007)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226437 (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 Similars	Article PubMed	n/a	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity to BACE1 expressed in HEK293 cells by Biocore ISA				J Med Chem 50: 5903-11 (2007)
					More data for this Ligand-Target Pair