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BDBM50220307 CHEMBL237061::N-(diaminomethylene)-2-(2-phenyl-4-(4-propoxyphenyl)thiophen-3-yl)acetamide

SMILES: CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1

InChI Key: InChIKey=VEPRQHCGLVQXNQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220307   
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))
BDBM50220307
PNG
(CHEMBL237061 | N-(diaminomethylene)-2-(2-phenyl-4-...)
Show SMILES CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1
Show InChI InChI=1S/C22H23N3O2S/c1-2-12-27-17-10-8-15(9-11-17)19-14-28-21(16-6-4-3-5-7-16)18(19)13-20(26)25-22(23)24/h3-11,14H,2,12-13H2,1H3,(H4,23,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.89E+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