BDBM15787 3-N-{[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 8b

SMILES: Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1

InChI Key: InChIKey=KMBPJSHPAXOXBT-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15787   

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))	BDBM15787 (3-N-{[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)phe...) Show SMILES Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.20E+3	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)