BDBM8096 (2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylphenyl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-[(2E)-3-(1H-imidazol-5-yl)prop-2-enamido]-3-methylbutanamide::hydroxylethylamine scaffold 66::hydroxylethylamine scaffold 6{6}

SMILES CC(C)[C@H](NC(=O)C=Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O

InChI Key InChIKey=YFDZMWCWLDFBJN-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 = 8096   

TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8096(hydroxylethylamine scaffold 6{6} | (2S)-N-[(2S,3S)...)
Affinity DataKi:  150nM ΔG°:  -9.21kcal/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 Depth
Date in BDB:
3/12/2006
Entry Details Article
PubMed
TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

LigandPNGBDBM8096(hydroxylethylamine scaffold 6{6} | (2S)-N-[(2S,3S)...)
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:
3/12/2006
Entry Details Article
PubMed
TargetCathepsin D(Human)
Uppsala University

LigandPNGBDBM8096(hydroxylethylamine scaffold 6{6} | (2S)-N-[(2S,3S)...)
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