BindingDB logo
myBDB logout

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.

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 = 15782   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM15782
PNG
(3-N-{[3-(pyridin-3-yl)phenyl]methyl}pyridine-2,3-d...)
Show SMILES Nc1ncccc1NCc1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/a 1.00E+5n/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)