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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50317032   
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))		BDBM50317032
PNG
(CHEMBL1097326 | N1-((1S,2S)-3-(3,5-difluorophenyl)...)
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]1CN(CCN1)S(=O)(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C35H44F2N4O6S/c1-5-11-40(12-6-2)35(44)26-15-23(3)14-25(19-26)34(43)39-31(18-24-16-27(36)20-28(37)17-24)33(42)32-22-41(13-10-38-32)48(45,46)30-9-7-8-29(21-30)47-4/h7-9,14-17,19-21,31-33,38,42H,5-6,10-13,18,22H2,1-4H3,(H,39,43)/t31-,32+,33-/m0/s1
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Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition oh BACE1

Bioorg Med Chem Lett 20: 2837-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.050
BindingDB Entry DOI: 10.7270/Q2BK1CH7
More data for this
Ligand-Target Pair