BDBM50310158 CHEMBL598259::rac-2-amino-4-(2-ethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one
SMILES: CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
InChI Key: InChIKey=INKNZABLNYYGBD-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50310158![]() (CHEMBL598259 | rac-2-amino-4-(2-ethylpyridin-4-yl)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human BACE1 by FRET assay | Bioorg Med Chem 18: 630-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.007 BindingDB Entry DOI: 10.7270/Q2DV1KT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50310158![]() (CHEMBL598259 | rac-2-amino-4-(2-ethylpyridin-4-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human BACE2 by FRET assay | Bioorg Med Chem 18: 630-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.007 BindingDB Entry DOI: 10.7270/Q2DV1KT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50310158![]() (CHEMBL598259 | rac-2-amino-4-(2-ethylpyridin-4-yl)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of human BACE1 | Eur J Med Chem 46: 58-64 (2010) Article DOI: 10.1016/j.ejmech.2010.10.014 BindingDB Entry DOI: 10.7270/Q2P55PRK | |||||||||||
More data for this Ligand-Target Pair |