BDBM8031 (2S,5S,6R)-3-Aza-5-hydroxy-7-phenyl-6-[(picolyl-L-valinyl)amino]-2-(m-(trifluoromethanesulfonyloxy)benzyl)-heptanoyl Amide::3-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]-4-phenylbutyl]amino}ethyl]phenyl trifluoromethanesulfonate::hydroxyethylamine-based inhibitor 11g

SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)C(N)=O

InChI Key InChIKey=SWSGGJCLZRKYQH-FWEHEUNISA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8031   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8031((2S,5S,6R)-3-Aza-5-hydroxy-7-phenyl-6-[(picolyl-L-...)
Affinity DataKi:  469nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

LigandPNGBDBM8031((2S,5S,6R)-3-Aza-5-hydroxy-7-phenyl-6-[(picolyl-L-...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8031((2S,5S,6R)-3-Aza-5-hydroxy-7-phenyl-6-[(picolyl-L-...)
Affinity DataKi: >2.00E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed