BDBM50627698 CHEMBL5432126

SMILES CCCN1CCOCCc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2

InChI Key InChIKey=GBKSTUMREALLDP-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50627698   

TargetPlasmepsin X(Plasmodium falciparum (isolate 3D7))
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50627698(CHEMBL5432126)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of recombinant Plasmodium falciparum 3D7 PMX using DABCYLHSFIQEGKEE-EDANS as fluorogenic substrate incubated for 5 mins followed by substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetPlasmepsin IV(Plasmodium falciparum (isolate 3D7))
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50627698(CHEMBL5432126)
Affinity DataIC50: 81nMAssay Description:Inhibition of Plasmodium falciparum PMIV using DABCYL-ERNIeFLSFP-EDAN as substrate preincubated for 20 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetCathepsin D(Human)
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50627698(CHEMBL5432126)
Affinity DataIC50: 1.65E+3nMAssay Description:Inhibition of human CatD using DABCYL-ERNIeFLSFP-EDAN as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetBeta-secretase 1(Human)
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50627698(CHEMBL5432126)
Affinity DataIC50: 2.27E+4nMAssay Description:Inhibition of human BACE1 using E-EDANS-EVNLDAEFK-DABCYL-R as substrate preincubated for 20 mins followed by substrate addition and measured after 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed