BDBM50169102 CHEMBL189976::N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-yl-benzyloxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propyl}-2,4,6-trifluoro-benzamide

SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O

InChI Key InChIKey=XYHRVSDQGNTVRS-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50169102   

TargetPlasmepsin I(malaria parasite P. falciparum)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50169102(N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-yl-benzyloxymet...)
Affinity DataKi:  3.30nMAssay Description:Inhibitory concentration against the plasmepsin-1 of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50169102(N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-yl-benzyloxymet...)
Affinity DataKi:  19nMAssay Description:Inhibitory concentration against the plasmepsin-2 of Plasmodium falciparumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50169102(N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-yl-benzyloxymet...)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibitory concentration against the human Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed