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BDBM50427054 CHEMBL2322540

SMILES: NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1

InChI Key: InChIKey=IOCGHYIPZDZBAO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50427054   
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 2


(Homo sapiens (Human))
BDBM50427054
PNG
(CHEMBL2322540)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C22H17F5N2O/c23-18-17(19(24)21(26)22(27)20(18)25)15-7-5-12(6-8-15)9-16(30)29-11-14-3-1-13(10-28)2-4-14/h1-8H,9-11,28H2,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.46E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50427054
PNG
(CHEMBL2322540)
Show SMILES NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C22H17F5N2O/c23-18-17(19(24)21(26)22(27)20(18)25)15-7-5-12(6-8-15)9-16(30)29-11-14-3-1-13(10-28)2-4-14/h1-8H,9-11,28H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorim...


J Med Chem 56: 1843-52 (2013)


Article DOI: 10.1021/jm301127x
BindingDB Entry DOI: 10.7270/Q2XG9SG1
More data for this
Ligand-Target Pair