BDBM249100 US9453034, 12b
SMILES: CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F
InChI Key: InChIKey=DMVOTCVPZZUWSV-NRFANRHFSA-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 2 (Homo sapiens (Human)) | BDBM249100 (US9453034, 12b) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.5 | -12.9 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
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 US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM249100 (US9453034, 12b) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1.40 | -12.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Merck Sharp & Dohme Corp. US Patent | Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo... | US Patent US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC | |||||||||||
More data for this Ligand-Target Pair |