BDBM7981 (3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]pentanamide::Pyridine-2-carboxylic Acid {(S)-1-[(1S,2S)-1-(4-Bromobenzyloxymethyl)-2-hydroxy-3-[2-(3-methoxyphenyl)ethylcarbamoyl]propylcarbamoyl}-2-methylpropyl)amide::Statine-like inhibitor 20

SMILES COc1cccc(CCNC(=O)C[C@H](O)[C@H](COCc2ccc(Br)cc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1

InChI Key InChIKey=UVKYOKLNBSINDL-XEVVZDEMSA-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 = 7981   

TargetPlasmepsin I(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7981((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-N-[2-...)
Affinity DataKi:  6.70nMAssay 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 DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7981((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-N-[2-...)
Affinity DataKi:  29nM ΔG°:  -10.2kcal/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 DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Linkoping University

LigandPNGBDBM7981((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-N-[2-...)
Affinity DataKi:  140nMAssay 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 DepthDetails ArticlePubMed