BDBM50432600 CHEMBL2347369
SMILES: COc1ccc(cc1)C1(C)CCSC(N)=N1
InChI Key: InChIKey=VKHSIJFRPDEMHV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50432600![]() (CHEMBL2347369) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ... | J Med Chem 56: 3980-95 (2013) Article DOI: 10.1021/jm400225m BindingDB Entry DOI: 10.7270/Q2RX9DFZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |