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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50274093   
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))		BDBM50274093
PNG
(4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...)
Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C42H47F2N5O10S/c1-24(2)38(41(54)45-22-26-11-13-28(14-12-26)42(55)56)48-37(51)21-36(50)35(23-59-34-19-31(43)18-32(44)20-34)47-40(53)30-15-29(16-33(17-30)49(4)60(5,57)58)39(52)46-25(3)27-9-7-6-8-10-27/h6-20,24-25,35-36,38,50H,21-23H2,1-5H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)(H,55,56)/t25-,35+,36+,38+/m1/s1
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Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assay

Bioorg Med Chem 16: 9471-86 (2008)


Article DOI: 10.1016/j.bmc.2008.09.041
BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
More data for this
Ligand-Target Pair