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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50317043   
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))		BDBM50317043
PNG
(CHEMBL1097337 | 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)c1c(C)nn(C)c1C |r|
Show InChI InChI=1S/C34H46F2N6O5S/c1-7-10-41(11-8-2)34(45)26-14-21(3)13-25(18-26)33(44)38-29(17-24-15-27(35)19-28(36)16-24)31(43)30-20-42(12-9-37-30)48(46,47)32-22(4)39-40(6)23(32)5/h13-16,18-19,29-31,37,43H,7-12,17,20H2,1-6H3,(H,38,44)/t29-,30+,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 970n/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