BDBM50647642 CHEMBL5598041

SMILES CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

InChI Key

  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 = 50647642   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center for Genetic Engineering and Biotechnology (BIOTEC)

Curated by ChEMBL
LigandPNGBDBM50647642(CHEMBL5598041)
Affinity DataKi:  0.160nMAssay Description:Inhibition of wild type Plasmodium falciparum DHFR expressed in Escherichia coli BL21(DE3) pLysS cells assessed as inhibition constant using DHF as s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetDihydrofolate reductase(Human)
National Center for Genetic Engineering and Biotechnology (BIOTEC)

Curated by ChEMBL
LigandPNGBDBM50647642(CHEMBL5598041)
Affinity DataKi:  9.90nMAssay Description:Inhibition of human DHFR expressed in Escherichia coli BL21(DE3) pLysS cells assessed as inhibition constant using DHF as substrate measured for 80 s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed