BDBM50397271 CHEMBL2169933
SMILES: COc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1
InChI Key: InChIKey=QECXNBWGUGUPSI-ROUUACIJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50397271 (CHEMBL2169933) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |