BDBM8029 (2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2-methoxyphenyl)phenyl]ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::(2S,5S,6R)-3-Aza-5-hydroxy-2-[p-(o-methoxyphenyl)-benzyl]-7-phenyl-6-[(picolyl-L-valinyl)amino]heptanoyl Amide::hydroxyethylamine-based inhibitor 16d

SMILES COc1ccccc1-c1ccc(C[C@H](NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C(N)=O)cc1

InChI Key InChIKey=KNBUMBGSBPCJDJ-SUGCFTRWSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8029   

TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8029((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2-metho...)
Affinity DataKi:  379nMAssay 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 I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8029((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2-metho...)
Affinity DataKi:  437nMAssay 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))
Uppsala University

LigandPNGBDBM8029((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2-metho...)
Affinity DataKi:  1.70E+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 DepthDetails ArticlePubMed