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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50129287   
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))		BDBM50129287
PNG
(CHEMBL3627968)
Show SMILES CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl |r|
Show InChI InChI=1S/C22H22Cl2F3N5O2/c1-12(33)30-19-16(23)9-13(10-17(19)24)11-29-21(28)31-20(34)18-3-2-8-32(18)15-6-4-14(5-7-15)22(25,26)27/h4-7,9-10,18H,2-3,8,11H2,1H3,(H,30,33)(H3,28,29,31,34)/t18-/m0/s1
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Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing APP695 Swedish mutant assessed as reduction of amyloid beta (1 to 40) production after overnight incub...

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


Article DOI: 10.1016/j.bmcl.2015.10.031
BindingDB Entry DOI: 10.7270/Q2CZ390J
More data for this
Ligand-Target Pair