new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50129280'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50129280
PNG
(CHEMBL3627960)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl
Show InChI InChI=1S/C18H18Cl2N4O3/c1-11(25)23-16-14(19)7-13(8-15(16)20)9-22-17(21)24-18(26)27-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,23,25)(H3,21,22,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
7.00E+3n/an/an/an/an/an/a5.0n/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting...


Bioorg Med Chem Lett 25: 5040-7 (2015)


BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50129280
PNG
(CHEMBL3627960)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl
Show InChI InChI=1S/C18H18Cl2N4O3/c1-11(25)23-16-14(19)7-13(8-15(16)20)9-22-17(21)24-18(26)27-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,23,25)(H3,21,22,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>3.00E+4n/an/an/an/an/an/a6.4n/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counti...


Bioorg Med Chem Lett 25: 5040-7 (2015)


BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair