BDBM50036587 CHEMBL1231280
SMILES: CCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1
InChI Key: InChIKey=SILGEXOUELDSRZ-GMCHKSTQSA-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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM50036587 (CHEMBL1231280) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of purified human BACE1 by FRET assay | Bioorg Med Chem Lett 24: 5455-9 (2015) Article DOI: 10.1016/j.bmcl.2014.10.006 BindingDB Entry DOI: 10.7270/Q2RJ4M38 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |