BDBM8105 (2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]-4-phenylbutyl]amino}ethyl]phenyl}phenyl)prop-2-enoic acid::hydroxylethylamine scaffold 96::hydroxylethylamine scaffold 9{6}

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

InChI Key InChIKey=YWMDSRRLBYMDPX-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 = 8105   

TargetPlasmepsin I(malaria parasite P. falciparum)
Uppsala University

LigandPNGBDBM8105(hydroxylethylamine scaffold 9{6} | (2E)-3-(3-{4-[(...)
Affinity DataKi:  42nMAssay 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

LigandPNGBDBM8105(hydroxylethylamine scaffold 9{6} | (2E)-3-(3-{4-[(...)
Affinity DataKi:  110nMAssay 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

LigandPNGBDBM8105(hydroxylethylamine scaffold 9{6} | (2E)-3-(3-{4-[(...)
Affinity DataKi:  300nMAssay 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