BindingDB logo
myBDB logout

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
(Institution)
LigandTarget
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
pHTemp
°C
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM15787
PNG
(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

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 4.20E+3n/an/an/an/a5.022



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)