BDBM7974 (3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]-5-phenylpentanamide::CHEMBL113208::Statine-like inhibitor A

SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O

InChI Key InChIKey=DYBGOWFLTWBIJD-HNRCJHGASA-N

Data  7 KI  1 IC50

  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 8 hits for monomerid = 7974   

TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  0.560nM ΔG°:  -12.5kcal/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
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  0.560nMAssay Description:Inhibitory concentration against the Plasmepsin II of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  0.560nMAssay Description:Inhibition of Plasmodium falciparum recombinant plasmepsin 2 expressed in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin I(Plasmodium falciparum)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  16nMAssay Description:Inhibitory concentration against the Plasmepsin I of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasmepsin I(Plasmodium falciparum)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  16nMAssay 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))
LinköPing University

Curated by ChEMBL
LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  21nMAssay Description:Inhibitory concentration against the human Cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
LinköPing University

Curated by ChEMBL
LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataKi:  21nMAssay 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))
LinköPing University

Curated by ChEMBL
LigandPNGBDBM7974((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Affinity DataIC50:  21nMAssay Description:Inhibitory concentration against Human cathepsin D.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed