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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 = 'BDBM50135587'   
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))		BDBM50135587
PNG
(CHEMBL335994 | {(S)-5-Benzo[1,3]dioxol-5-yl-3-[(S)...)
Show SMILES COC(=O)CN1c2ccccc2C(=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O)c1ccc2OCOc2c1 |c:13|
Show InChI InChI=1S/C29H25F2N3O6/c1-16(11-17-7-9-20(30)21(31)12-17)28(36)33-27-29(37)34(14-25(35)38-2)22-6-4-3-5-19(22)26(32-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,33,36)/t16-,27+/m0/s1
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PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of gamma secretase.

Bioorg Med Chem Lett 13: 4143-5 (2003)


BindingDB Entry DOI: 10.7270/Q22V2FHQ
More data for this
Ligand-Target Pair