BDBM50595797 CHEMBL5171401

SMILES [H]/N=C/1\NC(CC(=O)N1[C@@H]2CCOc3c2cc(cc3)C(=O)N[C@H]4CC(Oc5c4cccc5)(C)C)(CC)CC

InChI Key InChIKey=ZSZSSSHEMYULPX-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50595797   

TargetPlasmepsin X(Plasmodium falciparum (isolate 3D7))
Merck

Curated by ChEMBL
LigandPNGBDBM50595797(CHEMBL5171401)
Affinity DataIC50: 0.0300nMAssay Description:Inhibition of Plasmodium falciparum 3D7 HA-glms-tagged PMX using DABCYL-HSFIQEGKEE-EDANS as substrate measured after 2 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPlasmepsin IX(Plasmodium falciparum (isolate 3D7))
Merck

Curated by ChEMBL
LigandPNGBDBM50595797(CHEMBL5171401)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of Plasmodium falciparum 3D7 HA-glms-tagged PMIX using DABCYL-HSFIQEGKEE-EDANS as substrate measured after 2 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed