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BDBM50432187 CHEMBL2136098

SMILES: CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1

InChI Key: InChIKey=SKZOZLFDNIMQMW-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50432187   
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))
BDBM50432187
PNG
(CHEMBL2136098)
Show SMILES CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1
Show InChI InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.72E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)