BDBM50548088 CHEMBL3040038

SMILES CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O

InChI Key InChIKey=VDGXZSSDCDPCRF-UHFFFAOYSA-N

Data  3 KI

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50548088   

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

Curated by ChEMBL
LigandPNGBDBM50548088(CHEMBL3040038)
Affinity DataKi:  0.430nMAssay Description:Inhibition of wild type Plasmodium falciparum DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center for Genetic Engineering and Biotechnology (BIOTEC)

Curated by ChEMBL
LigandPNGBDBM50548088(CHEMBL3040038)
Affinity DataKi:  0.430nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
National Center for Genetic Engineering and Biotechnology (BIOTEC)

Curated by ChEMBL
LigandPNGBDBM50548088(CHEMBL3040038)
Affinity DataKi:  17nMAssay Description:Inhibition of human DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
National Center for Genetic Engineering and Biotechnology (BIOTEC)

Curated by ChEMBL
LigandPNGBDBM50548088(CHEMBL3040038)
Affinity DataKi:  17nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
National Center for Genetic Engineering and Biotechnology (BIOTEC)

Curated by ChEMBL
LigandPNGBDBM50548088(CHEMBL3040038)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)