BDBM8009 (2R,3R,4R,5R)-2,5-bis({[(2E)-3-(3,5-dimethyl-1,2-oxazol-4-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-(2,5-dimethyl-3,4-oxazol)-2-propenyloxy]-3,4-dihydroxyhexane-1,6-diamide::C2-symmetric compound 17

SMILES Cc1noc(C)c1\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c1c(C)noc1C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=DOFMGTCHOBJGHY-KOMOTFRRSA-N

Data  3 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 3 hits for monomerid = 8009   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8009((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(3,5-dimethyl-1,2-o...)
Affinity DataKi:  23nMAssay 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

LigandPNGBDBM8009((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(3,5-dimethyl-1,2-o...)
Affinity DataKi:  181nM ΔG°:  -9.10kcal/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

LigandPNGBDBM8009((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(3,5-dimethyl-1,2-o...)
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