BindingDB logo
myBDB logout

BDBM50092468 CHEMBL3586133

SMILES: OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1

InChI Key: InChIKey=OADYDVBNNUAOEU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50092468   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Homo sapiens (Human))
BDBM50092468
PNG
(CHEMBL3586133)
Show SMILES NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50092468
PNG
(CHEMBL3586133)
Show SMILES NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 761n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by mcaFRET assay


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50092468
PNG
(CHEMBL3586133)
Show SMILES NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 584n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair