BDBM8021 (2S)-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]-4-phenylbutyl]amino}-4-methylpentanamide::(2S,5S,6R)-3-Aza-2-isobutyl-5-hydroxy-7-phenyl-6-[(picolyl-L-valinyl)amino]heptanoyl Amide::hydroxyethylamine-based inhibitor 11b

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

InChI Key InChIKey=ZOUZGEDULMUYIW-ZJZGAYNASA-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 = 8021   

TargetCathepsin D(Homo sapiens (Human))
Uppsala University

LigandPNGBDBM8021((2S)-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyr...)
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 I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8021((2S)-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyr...)
Affinity DataKi:  2.90E+3nM ΔG°:  -7.47kcal/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 II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8021((2S)-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyr...)
Affinity DataKi:  3.30E+3nM ΔG°:  -7.40kcal/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