BDBM50171511 (S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)benzamido)pentanedioic acid::(S)-2-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-butyl]-benzoylamino}-pentanedioic acid::CHEMBL365307::N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic Acid
SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key InChIKey=CEPQCJFDTGQKDN-INIZCTEOSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 28 hits for monomerid = 50171511
Affinity DataKi: 460nMAssay 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 DataKi: 460nMAssay Description:Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 2 mins by Dixon plot analysisMore 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
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: >2.00E+4nMpH: 7.4Assay Description:Inhibition of human 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
TargetTrifunctional purine biosynthetic protein adenosine-3(Mus musculus)
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 1.50E+5nMAssay Description:Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometryMore data for this Ligand-Target Pair
3D Structure (crystal)TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 6.80E+3nMAssay Description:Inhibition of GARFtase in human KB cells assessed as [14C]glycine incorporation in to [14C]FGAR in folate free RPMI medium with 2 nM LCV by in-situas...More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Mus musculus)
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 150nMAssay 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: 6.80nMAssay 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
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 5.60nMAssay Description:Inhibition of GARFTase in human KB cells assessed as decrease in [14C]formyl GAR accumulation preincubated for 30 mins followed by [14C]glycine addit...More data for this Ligand-Target Pair
Affinity DataIC50: 213nMAssay Description:Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viabi...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viabili...More data for this Ligand-Target Pair
Affinity DataIC50: 6.30nMAssay Description:Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c...More data for this Ligand-Target Pair
Affinity DataIC50: 5.60nMAssay Description:Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay Description:Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay 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
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: 213nMAssay 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: 5.20nMAssay 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: 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
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: 6.30nMAssay 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
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/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assayMore 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: 1.00E+5nMpH: 7.4Assay Description:Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
Affinity DataIC50: >1.70E+5nMpH: 7.4Assay Description:Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair