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
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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | 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) Article DOI: 10.1021/jm070825k BindingDB Entry DOI: 10.7270/Q2W95B0T | |||||||||||
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...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar | 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) Article DOI: 10.1021/jm070825k BindingDB Entry DOI: 10.7270/Q2W95B0T | |||||||||||
More data for this Ligand-Target Pair |