new BindingDB logo
myBDB logout

BDBM50220311 CHEMBL391108::N-(amino(3-hydroxypropylamino)methylene)-2-(4-(2-chlorophenyl)-2-(2-methyl-4-propoxyphenyl)thiophen-3-yl)acetamide

SMILES: CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1

InChI Key: InChIKey=WILLYSZDHYQIAN-UHFFFAOYSA-N

Data: 1 IC50

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 = 50220311   
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))
BDBM50220311
PNG
(CHEMBL391108 | N-(amino(3-hydroxypropylamino)methy...)
Show SMILES CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1
Show InChI InChI=1S/C26H30ClN3O3S/c1-3-13-33-18-9-10-19(17(2)14-18)25-21(15-24(32)30-26(28)29-11-6-12-31)22(16-34-25)20-7-4-5-8-23(20)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 1.55E+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