BDBM8024 (2R,5S,6R)-3-Aza-2-benzyl-5-hydroxy-7-phenyl-6-[(picolyl-L-valinyl)amino]heptanoyl Amide::(2S)-N-[(2S,3S)-4-{[(1R)-1-carbamoyl-2-phenylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::hydroxyethylamine-based inhibitor 11e

SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=NSODVOFWHFOGLP-XUJYPJAKSA-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 = 8024   

TargetCathepsin D(Homo sapiens (Human))
Uppsala University

LigandPNGBDBM8024((2R,5S,6R)-3-Aza-2-benzyl-5-hydroxy-7-phenyl-6-[(p...)
Affinity DataKi: >2.00E+3nM ΔG°: >-8.08kcal/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

LigandPNGBDBM8024((2R,5S,6R)-3-Aza-2-benzyl-5-hydroxy-7-phenyl-6-[(p...)
Affinity DataKi:  3.50E+3nM ΔG°:  -7.36kcal/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

LigandPNGBDBM8024((2R,5S,6R)-3-Aza-2-benzyl-5-hydroxy-7-phenyl-6-[(p...)
Affinity DataKi:  8.00E+3nM ΔG°:  -6.88kcal/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