BDBM50226439 2-amino-6-propylpyrimidin-4(3H)-one::CHEMBL235825

SMILES: CCCc1cc(=O)[nH]c(N)n1

InChI Key: InChIKey=FSYKBAWAYYELHH-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 50226439   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226439 (2-amino-6-propylpyrimidin-4(3H)-one | CHEMBL235825) Show SMILES CCCc1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	2.49E+6	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226439 (2-amino-6-propylpyrimidin-4(3H)-one | CHEMBL235825) Show SMILES CCCc1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	4.45E+6	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				3D Structure (crystal)