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BDBM50372193 CHEMBL256904

SMILES: CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CCc2ccccc2)CCN1

InChI Key: InChIKey=KBVPZKQXFAMKSU-IIFCFJOHSA-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 = 50372193   
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))
BDBM50372193
PNG
(CHEMBL256904)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CCc2ccccc2)CCN1
Show InChI InChI=1S/C37H47F2N3O3/c1-4-15-42(16-5-2)37(45)30-18-25(3)17-29(23-30)36(44)41-34(22-28-19-31(38)24-32(39)20-28)35(43)33-21-27(13-14-40-33)12-11-26-9-7-6-8-10-26/h6-10,17-20,23-24,27,33-35,40,43H,4-5,11-16,21-22H2,1-3H3,(H,41,44)/t27-,33+,34-,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 assessed as amyloid beta 40 production in human HEK293 cells by ELISA


Bioorg Med Chem Lett 18: 414-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.116
BindingDB Entry DOI: 10.7270/Q2RV0PJH
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50372193
PNG
(CHEMBL256904)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CCc2ccccc2)CCN1
Show InChI InChI=1S/C37H47F2N3O3/c1-4-15-42(16-5-2)37(45)30-18-25(3)17-29(23-30)36(44)41-34(22-28-19-31(38)24-32(39)20-28)35(43)33-21-27(13-14-40-33)12-11-26-9-7-6-8-10-26/h6-10,17-20,23-24,27,33-35,40,43H,4-5,11-16,21-22H2,1-3H3,(H,41,44)/t27-,33+,34-,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 191n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human BACE1


Bioorg Med Chem Lett 18: 414-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.116
BindingDB Entry DOI: 10.7270/Q2RV0PJH
More data for this
Ligand-Target Pair