BDBM8101 (2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-5-yl)phenyl]-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::hydroxylethylamine scaffold 92::hydroxylethylamine scaffold 9{2}

SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O

InChI Key InChIKey=HRJWQNXZOPGOGK-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 = 8101   

TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

LigandPNGBDBM8101((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)
Affinity DataKi:  23nMAssay 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

LigandPNGBDBM8101((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)
Affinity DataKi:  52nMAssay 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

LigandPNGBDBM8101((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)
Affinity DataKi:  1.90E+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