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BDBM50220308 CHEMBL237282::N-(amino(3-hydroxypropylamino)methylene)-2-(4-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)thiophen-3-yl)acetamide

SMILES: CCCOc1ccc(cc1C)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl

InChI Key: InChIKey=YECNYEDWHUCAOP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220308   
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))
BDBM50220308
PNG
(CHEMBL237282 | N-(amino(3-hydroxypropylamino)methy...)
Show SMILES CCCOc1ccc(cc1C)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
Show InChI InChI=1S/C26H30ClN3O3S/c1-3-13-33-23-10-9-18(14-17(23)2)25-20(15-24(32)30-26(28)29-11-6-12-31)21(16-34-25)19-7-4-5-8-22(19)27/h4-5,7-10,14,16,31H,3,6,11-13,15H2,1-2H3,(H3,28,29,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 17: 5353-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.010
BindingDB Entry DOI: 10.7270/Q2WQ03GF
More data for this
Ligand-Target Pair