BDBM150701 US8981112, 8::US9526727, 8::US9949975, Example 8
SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@@H]1C
InChI Key: InChIKey=QXXFWNTWBZPZPY-VYTCSICCSA-N
Data: 3 IC50
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)) | BDBM150701 (US8981112, 8 | US9526727, 8 | US9949975, Example 8) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 4.4 | n/a |
Vitae Pharmaceuticals, Inc.; Boehringer-Ingelheim International GmbH US Patent | Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo... | US Patent US8981112 (2015) BindingDB Entry DOI: 10.7270/Q2B56HG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM150701 (US8981112, 8 | US9526727, 8 | US9949975, Example 8) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute | Assay Description Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta... | J Med Chem 52: 336-46 (2009) BindingDB Entry DOI: 10.7270/Q25D8V5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (BACE1) (Homo sapiens (Human)) | BDBM150701 (US8981112, 8 | US9526727, 8 | US9949975, Example 8) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 4.4 | n/a |
Vitae Pharmaceutical, Inc. US Patent | Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo... | US Patent US9526727 (2016) BindingDB Entry DOI: 10.7270/Q2K936GW | |||||||||||
More data for this Ligand-Target Pair |