BDBM8008 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis({[(2E)-3-(thiophen-3-yl)prop-2-en-1-yl]oxy})hexanediamide::(2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indanyl]-2,5-bis[(2E)-3-(3-thienyl)-2-propenyloxy]-3,4-dihydroxy-hexane-1,6-diamide::C2-symmetric compound 16

SMILES O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccsc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccsc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=TXDXOHWBGXPYCM-YTYKLZEWSA-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 = 8008   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8008((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  1.30nMAssay 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

LigandPNGBDBM8008((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  15nM 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
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

LigandPNGBDBM8008((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
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