BDBM50209559 (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::(R)-3-((2S,3S)-3-(2-(2,6-dimethylphenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide::CHEMBL231522::KNI-10006

SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=KKTYZYHUPKXLPL-RIQJEONASA-N

Data  5 KI  3 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50209559   

TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataKi:  2nMAssay Description:Inhibition of human liver cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin III(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataIC50:  690nMAssay Description:Inhibition of Plasmodium falciparum histo-aspartyl proteaseMore data for this Ligand-Target Pair
TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataIC50:  280nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 1More data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataKd:  22nMAssay Description:Inhibition of cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50209559((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Affinity DataIC50:  39nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed