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-UHFFFAOYSA-N

Data  5 KI  3 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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)
Uppsala 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 Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetPlasmepsin I(malaria parasite P. 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
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetPlasmepsin III(malaria parasite P. 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
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
Novartis Institutes For Biomedical Research

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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala 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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala 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 Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala 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 Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCathepsin D(Human)
Novartis Institutes For Biomedical Research

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 Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed