BDBM15786 3-N-{[2-(benzyloxy)-5-(1H-indol-6-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 8a

SMILES: Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1

InChI Key: InChIKey=IWQIMHIJDLAOHB-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 15786   

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))	BDBM15786 (3-N-{[2-(benzyloxy)-5-(1H-indol-6-yl)phenyl]methyl...) Show SMILES Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C27H24N4O/c28-27-24(7-4-13-30-27)31-17-23-15-21(22-9-8-20-12-14-29-25(20)16-22)10-11-26(23)32-18-19-5-2-1-3-6-19/h1-16,29,31H,17-18H2,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	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