BDBM8001 (2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-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-bromo-2-propenyloxy]-3,4-dihydroxyhexane-1,6-diamide::C2-symmetric compound 9::CHEMBL366393

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

InChI Key InChIKey=JWWDHQJUBYEROJ-FNHBQMBASA-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 = 8001   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8001((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)
Affinity DataKi:  27nMAssay 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

LigandPNGBDBM8001((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)
Affinity DataKi:  27nMAssay 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
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8001((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)
Affinity DataKi:  47nM ΔG°:  -9.89kcal/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

LigandPNGBDBM8001((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)
Affinity DataKi:  47nMAssay 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
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM8001((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)
Affinity DataKi: >2.00E+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
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM8001((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)
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