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BDBM50388748 CHEMBL2059624

SMILES: OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1Cl

InChI Key: InChIKey=AQHOTHAHFTXYGX-UHFFFAOYNA-N

Data: 2 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 2 hits for monomerid = 50388748   
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
Cathepsin D


(Homo sapiens (Human))
BDBM50388748
PNG
(CHEMBL2059624)
Show SMILES OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1Cl
Show InChI InChI=1/C22H21ClO2S/c23-21-8-4-5-9-22(21)26-16-19(24)15-25-20-12-10-18(11-13-20)14-17-6-2-1-3-7-17/h1-13,19,24H,14-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 22: 4740-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.072
BindingDB Entry DOI: 10.7270/Q2C53MXF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50388748
PNG
(CHEMBL2059624)
Show SMILES OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1Cl
Show InChI InChI=1/C22H21ClO2S/c23-21-8-4-5-9-22(21)26-16-19(24)15-25-20-12-10-18(11-13-20)14-17-6-2-1-3-7-17/h1-13,19,24H,14-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 22: 4740-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.072
BindingDB Entry DOI: 10.7270/Q2C53MXF
More data for this
Ligand-Target Pair