BDBM50452171 CHEMBL4203015

SMILES Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)Cc4ccccc4)cc3)ccc2n1

InChI Key InChIKey=MSTXQGIZXLHRTL-UHFFFAOYSA-N

Data  2 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 = 50452171   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50452171BDBM50452171(CHEMBL4203015)
Affinity DataIC50: 70nMAssay Description:Inhibition of Plasmodium falciparum DHFR using DHF as substrate preincubated for 15 mins followed DHF addition measured after 15 mins by spectrophoto...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 2a(malaria parasite P. falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50452171BDBM50452171(CHEMBL4203015)
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed