BDBM50171513 (S)-2-(4-(3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl)benzamido)pentanedioic acid::(S)-2-{4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL192632
SMILES Nc1nc2[nH]c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key InChIKey=QLSVPQAGJDLITE-HNNXBMFYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 22 hits for monomerid = 50171513
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataKi: 160nMAssay Description:Inhibition of recombinant N-terminal 6His-tagged human GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,8-dideazafolic acid measu...More data for this Ligand-Target Pair
Affinity DataKi: 220nMAssay Description:Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 5 mins by Dixon plot analysisMore data for this Ligand-Target Pair
Affinity DataKi: 630nMAssay Description:Inhibition of human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in [3H]MTX uptake at pH 5.5 measured over 2 mins by Dixon ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.10E+5nMpH: 7.4Assay Description:Inhibition of Lactobacillus casei dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
Affinity DataIC50: >1.70E+4nMpH: 7.4Assay Description:Inhibition of human thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMpH: 7.4Assay Description:Inhibition of Lactobacillus casei thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Mus musculus)
Wayne State University School Of Medicine
Curated by ChEMBL
Wayne State University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 2.44E+3nMAssay Description:Inhibition of mouse recombinant GARFTaseMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 18nMAssay Description:Inhibition of GARFTase in human KB cells assessed as inhibition of [14C]glycine incorporation into [14C]formylGAR in presence of azaserineMore data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay Description:Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of GARFTase in human IGROV1 cells assessed as decrease in incorporation of [14C(U)glycine into [14C]formyl GAR formation after 24 hrsMore data for this Ligand-Target Pair
Affinity DataIC50: 4.10nMAssay Description:Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell growth...More data for this Ligand-Target Pair
Affinity DataIC50: 5.60nMAssay Description:Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...More data for this Ligand-Target Pair
Affinity DataIC50: 23nMAssay Description:Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell growt...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity to human RFC2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after ...More data for this Ligand-Target Pair
Affinity DataIC50: 9.70nMAssay Description:Binding affinity to human PCFT4 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after...More data for this Ligand-Target Pair
Affinity DataIC50: 304nMAssay Description:Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell growth ...More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 1.90nMAssay Description:Inhibition of GARFTase in human KB cells expressing RFC/FR-alpha/PCFT assessed as decrease in incorporation of [14C(U)]-glycine into [14C]formyl GAR ...More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 1.70nMAssay Description:Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assayMore data for this Ligand-Target Pair
Affinity DataIC50: >2.40E+4nMpH: 7.4Assay Description:Inhibition of human dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs in presence of folic acid by C...More data for this Ligand-Target Pair
Affinity DataIC50: >1.80E+5nMpH: 7.4Assay Description:Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
Affinity DataIC50: 2.20E+4nMpH: 7.4Assay Description:Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair