BDBM8006 (2R,3R,4R,5R)-2,5-bis({[(2E)-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-yl]oxy})-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide::(2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indanyl]-2,5-bis[(2E)-3-(2,4-dimethoxy-3,5-pyrimidin)-2-propenyloxy]-3,4-dihydroxyhexane-1,6-diamide::C2-symmetric compound 14

SMILES COc1ncc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2cnc(OC)nc2OC)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(OC)n1

InChI Key InChIKey=ZPKOHFNESUMJAP-YTZFWGRHSA-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 = 8006   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8006((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(2,4-dimethoxypyrim...)
Affinity DataKi:  8.40nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8006((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(2,4-dimethoxypyrim...)
Affinity DataKi:  13nM ΔG°:  -10.6kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

LigandPNGBDBM8006((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(2,4-dimethoxypyrim...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed