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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 = 'BDBM50143447'   
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))		BDBM50143447
PNG
(2-((S)-2-{(S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxy...)
Show SMILES COC(=O)[C@H](CC(C)C)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
Show InChI InChI=1S/C41H63N5O8/c1-26(2)21-32(36(48)45-35(28(5)6)37(49)42-33(22-27(3)4)38(50)53-10)43-39(51)46(24-30-19-15-12-16-20-30)25-34(47)31(23-29-17-13-11-14-18-29)44-40(52)54-41(7,8)9/h11-20,26-28,31-35,47H,21-25H2,1-10H3,(H,42,49)(H,43,51)(H,44,52)(H,45,48)/t31-,32-,33-,34+,35-/m0/s1
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n/an/a 540n/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