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BDBM50427057 CHEMBL2322537

SMILES: CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=KZBAGUJKIHPQRQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50427057   
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))
BDBM50427057
PNG
(CHEMBL2322537)
Show SMILES CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-18(2)24(25(28)27-17-20-10-8-19(16-26)9-11-20)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,24H,16-17,26H2,1-2H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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))
BDBM50427057
PNG
(CHEMBL2322537)
Show SMILES CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O/c1-18(2)24(25(28)27-17-20-10-8-19(16-26)9-11-20)23-14-12-22(13-15-23)21-6-4-3-5-7-21/h3-15,18,24H,16-17,26H2,1-2H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.35E+4n/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