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BDBM50143441 (S)-2-{(S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenyl-butyl)-ureido]-3-phenyl-propionylamino}-3-phenyl-propionic acid methyl ester::CHEMBL367944

SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1

InChI Key: InChIKey=ILQUMIPJRBYEBM-MYOMABOUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50143441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50143441
PNG
((S)-2-{(S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxycar...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C42H50N4O7/c1-42(2,3)53-41(51)45-34(25-30-17-9-5-10-18-30)37(47)29-46(28-33-23-15-8-16-24-33)40(50)44-35(26-31-19-11-6-12-20-31)38(48)43-36(39(49)52-4)27-32-21-13-7-14-22-32/h5-24,34-37,47H,25-29H2,1-4H3,(H,43,48)(H,44,50)(H,45,51)/t34-,35-,36-,37+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/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