BDBM8104 (2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-acetamidophenyl)phenyl]ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::hydroxylethylamine scaffold 95::hydroxylethylamine scaffold 9{5}

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

InChI Key InChIKey=XOFXYIVRTUOLGA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8104   

TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8104((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-aceta...)
Affinity DataKi:  92nMAssay 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

LigandPNGBDBM8104((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-aceta...)
Affinity DataKi:  99nMAssay 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

LigandPNGBDBM8104((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-aceta...)
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