BDBM50452169 CHEMBL3819601

SMILES Cc1nc(N)nc(N)c1OCCCOc1cc(Cl)c(Cl)cc1Cl

InChI Key InChIKey=KNUBCZHIBGZRJT-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50452169   

TargetDihydrofolate reductase(Homo sapiens (Human))
National Center For Genetic Engineering And Biotechnology At Thailand

Curated by ChEMBL

LigandBDBM50452169(CHEMBL3819601)Copy SMILESCopy InChI

Affinity DataKi:  48nMAssay Description:Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
East China University Of Science And Technology

Curated by ChEMBL

LigandBDBM50452169(CHEMBL3819601)Copy SMILESCopy InChI

Affinity DataIC50:  229nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI