BDBM16077 (2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]propanamido]-4-hydroxy-2,7-dimethyloctanamide::open-chain analog 103

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O

InChI Key InChIKey=YBUAWZQWIXYUFU-NQOGSSOHSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 16077   

TargetBeta-secretase 1 [1-453](Homo sapiens (Human))
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16077((2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-m...)
Affinity DataIC50:  120nMpH: 4.5 T: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM16077((2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-m...)
Affinity DataIC50:  260nMAssay Description:Inhibition of Cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM16077((2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-m...)
Affinity DataIC50:  120nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM16077((2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-m...)
Affinity DataIC50:  260nMT: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed