BDBM50452169 CHEMBL3819601

SMILES Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl

InChI Key InChIKey=KNUBCZHIBGZRJT-UHFFFAOYSA-N

Data  1 KI  1 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 = 50452169   

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

Curated by ChEMBL
LigandPNGBDBM50452169(CHEMBL3819601)
Affinity DataIC50: 229nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50452169(CHEMBL3819601)
Affinity DataKi:  48nMAssay Description:Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed