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BDBM15783 3-N-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine::3-Substituted 2-Aminopyridine 6b

SMILES: COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1

InChI Key: InChIKey=PGAWZMRRCVSRIM-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 = 15783   
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))
BDBM15783
PNG
(3-N-{[3-(5-methoxypyridin-3-yl)phenyl]methyl}pyrid...)
Show SMILES COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
Show InChI InChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21)
PDB
MMDB

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PC cid
PC sid
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Similars

AffyNet 
PDB
Article
PubMed
n/an/a 4.00E+4n/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)