new BindingDB logo
myBDB logout

BDBM50220316 2-(2-(4-(2-(1H-pyrazol-4-yl)ethoxy)phenyl)-4-(2-chlorophenyl)thiophen-3-yl)-N-(diaminomethylene)acetamide::CHEMBL393559

SMILES: NC(=N)NC(=O)Cc1c(csc1-c1ccc(OCCc2cn[nH]c2)cc1)-c1ccccc1Cl

InChI Key: InChIKey=SOIUCDXCUVCLGQ-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 = 50220316   
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))
BDBM50220316
PNG
(2-(2-(4-(2-(1H-pyrazol-4-yl)ethoxy)phenyl)-4-(2-ch...)
Show SMILES NC(=N)NC(=O)Cc1c(csc1-c1ccc(OCCc2cn[nH]c2)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C24H22ClN5O2S/c25-21-4-2-1-3-18(21)20-14-33-23(19(20)11-22(31)30-24(26)27)16-5-7-17(8-6-16)32-10-9-15-12-28-29-13-15/h1-8,12-14H,9-11H2,(H,28,29)(H4,26,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+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