BDBM7984 (3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(4-cyanophenyl)methyl]-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]pentanamide::Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-1-(4-Bromobenzyloxymethyl)3-(4-cyanobenzylcarbamoyl)-2-hydroxypropylcarbamoyl]-2-methylpropyl}amide::Statine-like inhibitor 23

SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCc1ccc(cc1)C#N

InChI Key InChIKey=IHPVIBYQMOQUGA-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 = 7984   

TargetPlasmepsin I(malaria parasite P. falciparum)
Linkoping University

LigandPNGBDBM7984((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(4-cyanophen...)
Affinity DataKi:  53nMAssay 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:
3/6/2006
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7984((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(4-cyanophen...)
Affinity DataKi:  256nM ΔG°:  -8.90kcal/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:
3/6/2006
Entry Details Article
PubMed
TargetCathepsin D(Human)
Linkoping University

LigandPNGBDBM7984((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(4-cyanophen...)
Affinity DataKi:  623nMAssay 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:
3/6/2006
Entry Details Article
PubMed