BDBM50010854 CHEMBL587764::TCMDC-134674

SMILES CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O

InChI Key InChIKey=KCQAMDDVQXZDMS-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50010854   

TargetCathepsin D(Human)
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50010854(CHEMBL587764 | TCMDC-134674)
Affinity DataIC50: 43nMAssay Description:Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetPlasmepsin I(malaria parasite P. falciparum)
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50010854(CHEMBL587764 | TCMDC-134674)
Affinity DataIC50: 700nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetPlasmepsin II(Plasmodium falciparum)
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50010854(CHEMBL587764 | TCMDC-134674)
Affinity DataIC50: 150nMAssay Description:Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)