BDBM50173742 (2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-dihydroxy-6-{N'-[3-(4-methyl-piperazin-1-yl)-propionyl]-hydrazino}-6-oxo-hexanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide::CHEMBL196696

SMILES CN1CCN(CCC(=O)NNC(=O)[C@H](OC\C=C\Br)[C@H](O)[C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)CC1

InChI Key InChIKey=QJEZISFYMSMNNN-ZITABEMZSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50173742   

TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173742((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...)
Affinity DataKi:  586nMAssay Description:Inhibition constant against plasmepsin 2 of Plasmodium falciparum 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173742((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...)
Affinity DataKi:  1.09E+3nMAssay Description:Inhibition constant against plasmepsin 1 of Plasmodium falciparum, 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50173742((2R,3R,4R,5R)-2,5-Bis-((E)-3-bromo-allyloxy)-3,4-d...)
Affinity DataKi: >6.00E+3nMpH: 4.5Assay Description:Inhibition constant against pro-cathepsin D (50 ng/mL) of human liver upon incubation at pH 4.5 for 10 min using DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed