null

SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C

InChI Key InChIKey=LYOALEBGXHPTDB-LSQMVHIFSA-N

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 7985   

TargetPlasmepsin I(Plasmodium falciparum)
Linköping University

Curated by ChEMBL
LigandPNGBDBM7985((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)copy SMILEScopy InChI
Affinity DataKi:  8.10nMAssay Description:Inhibitory concentration against the Plasmepsin I of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78DRQPubMed
TargetPlasmepsin I(Plasmodium falciparum)
Linköping University

Curated by ChEMBL
LigandPNGBDBM7985((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)copy SMILEScopy InChI
Affinity DataKi:  8.10nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2WM1BMGPubMed
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7985((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)copy SMILEScopy InChI
Affinity DataKi:  68nM ΔG°:  -9.67kcal/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 Article
BindingDB Entry DOI: 10.7270/Q2WM1BMGPubMed
TargetPlasmepsin II(Plasmodium falciparum)
Linkoping University

LigandPNGBDBM7985((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)copy SMILEScopy InChI
Affinity DataKi:  68nMAssay Description:Inhibitory concentration against the Plasmepsin II of Plasmodium falciparumMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78DRQPubMed
TargetCathepsin D(Homo sapiens (Human))
Linköping University

Curated by ChEMBL
LigandPNGBDBM7985((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)copy SMILEScopy InChI
Affinity DataKi:  473nMAssay Description:Inhibitory concentration against the human Cathepsin DMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78DRQPubMed
TargetCathepsin D(Homo sapiens (Human))
Linköping University

Curated by ChEMBL
LigandPNGBDBM7985((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)copy SMILEScopy InChI
Affinity DataKi:  473nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2WM1BMGPubMed