BDBM50100434 CHEMBL302004::L-68458::L-685458::tert-butyl (2S,3R,5R)-5-(((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-3-hydroxy-1,6-diphenylhexan-2-ylcarbamate::tert-butyl(2S,3R,5R)-6-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-ylcarbamate::{(1S,2R)-1-Benzyl-4-[(R)-1-((S)-(S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester::{1-Benzyl-4-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester

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

InChI Key InChIKey=MURCDOXDAHPNRQ-ZJKZPDEISA-N

Data  7 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50100434   

TargetBeta-secretase 1/2(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  300nMAssay Description:Inhibition of beta-secretase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-secretase subunit PEN-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  300nMAssay Description:Inhibitory concentration of the compound against gamma-secretase was determinedMore data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  36nMAssay Description:Inhibition of gamma-secretase in cell-free human HeLa membrane assessed as amyloid beta-42 production using APP as substrateMore data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  115nMAssay Description:Inhibition of full-length human gamma secretase expressed in SH-SY5Y spbetaA4CTF cells assessed as reduction in amyloid beta levels after 90 mins by ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  4.30nMAssay Description:Displacement of [3H]L685458 from gamma-secretase in human THP1 cellsMore data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  17nMAssay Description:Inhibition of gamma secretase (unknown origin) assessed as reduction in amyloid beta levels by HTRF assayMore data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50100434(CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...)
Affinity DataIC50:  72nMAssay Description:Displacement of [3H]IN973 from gamma-secretase in human THP1 cellsMore data for this Ligand-Target Pair