BDBM8005 (2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)prop-2-en-1-yl]oxy})-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide::C2-symmetric compound 13

SMILES CC(=O)c1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(cc2)C(C)=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key InChIKey=WZXYHEYYJRGWNR-VVKCFMERSA-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 = 8005   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8005((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)
Affinity DataKi:  0.800nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8005((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of recombinant Plasmodium falciparum Plasmepsin 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8005((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)
Affinity DataKi:  6nM ΔG°:  -11.1kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8005((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)
Affinity DataKi:  6nMAssay Description:Inhibition of recombinant Plasmodium falciparum Plasmepsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
University Of Zambia

Curated by ChEMBL
LigandPNGBDBM8005((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)
Affinity DataKi: >200nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
University Of Zambia

Curated by ChEMBL
LigandPNGBDBM8005((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)
Affinity DataKi: >2.00E+3nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed