BDBM7998 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(prop-2-en-1-yloxy)hexanediamide::C2-symmetric compound 6::CHEMBL177718

SMILES O[C@H]([C@@H](O)[C@@H](OCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=VFYYMZZPLBYLND-YNMRTIPJSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 7998   

TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM7998((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  96nMAssay 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 II(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM7998((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  96nM ΔG°:  -9.47kcal/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 I(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM7998((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  163nMAssay 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 I(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM7998((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  163nMAssay 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

Curated by ChEMBL
LigandPNGBDBM7998((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
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
LigandPNGBDBM7998((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
TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM7998((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition constant against plasmepsin 4 of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed