BDBM259485 US9526727, Comparison Example Table 2, 2''-amino-4-methoxy-5''-oxo-1''-(oxolan-2-ylmethyl)-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile
SMILES: CO[C@H]1CCC2(Cc3ccc(cc3C22N=C(N)N(CC3CCCO3)C2=O)C#N)CC1
InChI Key: InChIKey=UPHWMYMEWKSHEJ-WKJJIOGWSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM259485 (US9526727, Comparison Example Table 2, 2''-amino-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 35 |
Vitae Pharmaceutical, Inc. US Patent | Assay Description Cells were superfused with a bath solution containing (mM): NaCl (137), KCl (4.0), MgCl2 (1.0), CaCl2 (1.8), Glucose (10), HEPES (10), pH 7.4 with Na... | US Patent US9526727 (2016) BindingDB Entry DOI: 10.7270/Q2K936GW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (BACE1) (Homo sapiens (Human)) | BDBM259485 (US9526727, Comparison Example Table 2, 2''-amino-4...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 35 | 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 |