BDBM8100 (2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::hydroxylethylamine scaffold 91::hydroxylethylamine scaffold 9{1}

SMILES COc1ncc(-c2ccc(C[C@H](NC[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)C(N)=O)cc2)c(OC)n1

InChI Key InChIKey=FEKNMSKYBGUXQU-UHFFFAOYSA-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 = 8100   

TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

LigandPNGBDBM8100((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2,4-dim...)
Affinity DataKi:  170nMAssay 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:
3/12/2006
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8100((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2,4-dim...)
Affinity DataKi:  360nMAssay 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:
3/12/2006
Entry Details Article
PubMed
TargetCathepsin D(Human)
Uppsala University

LigandPNGBDBM8100((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2,4-dim...)
Affinity DataKi: >2.90E+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:
3/12/2006
Entry Details Article
PubMed