BDBM369525 US10231967, Example 48-Isomer-1::US9918985, Example 48 Isomer 5
SMILES: CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N
InChI Key: InChIKey=MWVBEWBNSOHPSD-FHZYATBESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Amyloid-beta precursor protein (Homo sapiens (Human)) | BDBM369525 (US10231967, Example 48-Isomer-1 | US9918985, Examp...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.700 | 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 | |||||||||||||
Beta-secretase 1 [1-460] (Homo sapiens (Human)) | BDBM369525 (US10231967, Example 48-Isomer-1 | US9918985, Examp...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.57E+4 | 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)) | BDBM369525 (US10231967, Example 48-Isomer-1 | US9918985, Examp...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari | Assay Description SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140° C. at a ... | J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2RF5X91 | |||||||||||
More data for this Ligand-Target Pair |