BDBM15782 3-N-{[3-(pyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 6a
SMILES: Nc1ncccc1NCc1cccc(c1)-c1cccnc1
InChI Key: InChIKey=NQSBHBFOOVYRNM-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM15782 (3-N-{[3-(pyridin-3-yl)phenyl]methyl}pyridine-2,3-d...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | 5.0 | 22 |
Astex | Assay Description Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ... | J Med Chem 50: 1124-32 (2007) Article DOI: 10.1021/jm061197u BindingDB Entry DOI: 10.7270/Q2TT4P6T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |