BDBM136800 US10231967, Example 48-Isomer-5::US8865911, 48 Isomer 2::US9918985, Example 48 Isomer 1
SMILES: CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N
InChI Key: InChIKey=MWVBEWBNSOHPSD-FRGLQRNOSA-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)) | BDBM136800 (US10231967, Example 48-Isomer-5 | US8865911, 48 Is...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | 9.2 | n/a |
Astrazeneca AB US Patent | Assay Description The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo... | US Patent US8865911 (2014) BindingDB Entry DOI: 10.7270/Q2T72G4T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 [1-460] (Homo sapiens (Human)) | BDBM136800 (US10231967, Example 48-Isomer-5 | US8865911, 48 Is...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center | Assay Description The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ... | J Med Chem 50: 3906-20 (2007) BindingDB Entry DOI: 10.7270/Q2CR5WP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM136800 (US10231967, Example 48-Isomer-5 | US8865911, 48 Is...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari | Assay Description The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was... | J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2RF5X91 | |||||||||||
More data for this Ligand-Target Pair |