BDBM242225 US9416129, 3::US9416129, 5
SMILES: CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1nnco1
InChI Key: InChIKey=PAXNTSLCJPOLCT-INIZCTEOSA-N
Data: 4 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)) | BDBM242225 (US9416129, 3 | US9416129, 5) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.70 | -11.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Merck Sharp & Dohme Corp. US Patent | Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c... | US Patent US9416129 (2016) BindingDB Entry DOI: 10.7270/Q2HM57C6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM242225 (US9416129, 3 | US9416129, 5) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 7.5 | -11.3 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Merck Sharp & Dohme Corp. US Patent | Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c... | US Patent US9416129 (2016) BindingDB Entry DOI: 10.7270/Q2HM57C6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM242225 (US9416129, 3 | US9416129, 5) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 8.90 | -11.2 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Merck Sharp & Dohme Corp. US Patent | Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.... | US Patent US9416129 (2016) BindingDB Entry DOI: 10.7270/Q2HM57C6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM242225 (US9416129, 3 | US9416129, 5) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 25.9 | -10.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Merck Sharp & Dohme Corp. US Patent | Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.... | US Patent US9416129 (2016) BindingDB Entry DOI: 10.7270/Q2HM57C6 | |||||||||||
More data for this Ligand-Target Pair |