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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50220306   
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))		BDBM50220306
PNG
(-4-(3-(2-(amino(3-hydroxypropylamino)methyleneamin...)
Show SMILES OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C25H24ClF3N4O3S/c26-20-5-2-1-4-17(20)19-13-37-22(18(19)12-21(35)33-24(30)31-10-3-11-34)15-6-8-16(9-7-15)23(36)32-14-25(27,28)29/h1-2,4-9,13,34H,3,10-12,14H2,(H,32,36)(H3,30,31,33,35)
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay

Bioorg Med Chem Lett 17: 5353-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.010
BindingDB Entry DOI: 10.7270/Q2WQ03GF
More data for this
Ligand-Target Pair