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BDBM15779 6-Substituted 2-Aminopyridine 3::6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine

SMILES: Nc1cccc(CCc2ccc3cc[nH]c3c2)n1

InChI Key: InChIKey=OSHSZKRWKLQZBV-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 = 15779   
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))
BDBM15779
PNG
(6-Substituted 2-Aminopyridine 3 | 6-[2-(1H-indol-6...)
Show SMILES Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
Show InChI InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents

AffyNet 
PDB
Article
PubMed
n/an/a 9.40E+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 ...


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