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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2' and Ligand = 'BDBM50143451'   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))		BDBM50143451
PNG
(2-((S)-2-{(S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxy...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C40H61N5O8/c1-25(2)21-31(35(47)43-33(26(3)4)36(48)44-34(27(5)6)37(49)52-10)41-38(50)45(23-29-19-15-12-16-20-29)24-32(46)30(22-28-17-13-11-14-18-28)42-39(51)53-40(7,8)9/h11-20,25-27,30-34,46H,21-24H2,1-10H3,(H,41,50)(H,42,51)(H,43,47)(H,44,48)/t30-,31-,32+,33-,34-/m0/s1
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Article
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n/an/a 530n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)

Bioorg Med Chem Lett 14: 1935-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.077
BindingDB Entry DOI: 10.7270/Q2F19080
More data for this
Ligand-Target Pair