BDBM8028 (2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(3-aminophenyl)phenyl]-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::(2S,5S,6R)-3-Aza-2-[p-(m-aminophenyl)benzyl]-5-hydroxy-7-phenyl-6-[(picolyl-L-valinyl)amino]heptanoyl Amide::hydroxyethylamine-based inhibitor 16c

SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(N)c1)C(N)=O

InChI Key InChIKey=WZWJMQITDGALOZ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8028   

TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

LigandPNGBDBM8028((2S,5S,6R)-3-Aza-2-[p-(m-aminophenyl)benzyl]-5-hyd...)
Affinity DataKi:  63nMAssay 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 Depth
Date in BDB:
3/1/2006
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8028((2S,5S,6R)-3-Aza-2-[p-(m-aminophenyl)benzyl]-5-hyd...)
Affinity DataKi:  150nMAssay 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 Depth
Date in BDB:
3/1/2006
Entry Details Article
PubMed
TargetCathepsin D(Human)
Uppsala University

LigandPNGBDBM8028((2S,5S,6R)-3-Aza-2-[p-(m-aminophenyl)benzyl]-5-hyd...)
Affinity DataKi:  1.00E+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 Depth
Date in BDB:
3/1/2006
Entry Details Article
PubMed