BDBM50108849 CHEMBL321974::{(S)-3-Methyl-1-[(S)-2-oxo-1-phenethyl-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-butyl}-carbamic acid pyridin-3-ylmethyl ester::{3-Methyl-1-[2-oxo-1-phenethyl-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-butyl}-carbamic acid pyridin-3-ylmethyl ester

SMILES CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1

InChI Key InChIKey=ZFHURWWCUFDMNR-KYJUHHDHSA-N

Data  6 KI

  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 6 hits for monomerid = 50108849   

TargetCruzipain(Trypanosoma cruzi)
University Of California

Curated by ChEMBL
LigandPNGBDBM50108849(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Affinity DataKi:  1.10nMAssay Description:Inhibitory activity against cruzain, the major cysteine protease found in T. cruziMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
University Of California

Curated by ChEMBL
LigandPNGBDBM50108849(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Affinity DataKi:  1.10nMAssay Description:Affinity for cysteine protease (Cruzipain) of Chagas' diseaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50108849(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Affinity DataKi:  144nMAssay Description:Affinity for human Cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50108849(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Affinity DataKi:  144nMAssay Description:Inhibitory activity of the compound against human Cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50108849(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Affinity DataKi:  1.70E+3nMAssay Description:Affinity for human Cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50108849(CHEMBL321974 | {(S)-3-Methyl-1-[(S)-2-oxo-1-phenet...)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibitory activity of the compound against human Cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed