BDBM236598 US9365589, 1y
SMILES: CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F
InChI Key: InChIKey=ZKRIRTXSSDEWSN-AUSIDOKSSA-N
Data: 2 KI
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)) | BDBM236598 (US9365589, 1y) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1 | -12.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Merck Sharp & Dohme Corp. US Patent | Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7... | US Patent US9365589 (2016) BindingDB Entry DOI: 10.7270/Q2QZ28V2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM236598 (US9365589, 1y) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 7 | n/a | n/a | n/a | n/a | n/a | n/a | 5.0 | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN... | US Patent US9365589 (2016) BindingDB Entry DOI: 10.7270/Q2QZ28V2 | |||||||||||
More data for this Ligand-Target Pair |