BDBM50578408 CHEMBL4857754

SMILES [H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3

InChI Key InChIKey=SOIXVDMTFRVKPR-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50578408   

TargetCysteine proteinase falcipain 2a(malaria parasite P. falciparum)
India

Curated by ChEMBL
LigandPNGBDBM50578408(CHEMBL4857754)
Affinity DataIC50: 7.67E+3nMAssay Description:Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 2a(malaria parasite P. falciparum)
India

Curated by ChEMBL
LigandPNGBDBM50578408(CHEMBL4857754)
Affinity DataKi:  4.54E+3nMAssay Description:Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed