BDBM18796 (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid::LY231514::Pemetrexed
SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
InChI Key InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 102 hits for monomerid = 18796
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataKi: 1.30nMAssay Description:Inhibition of thymidin synthaseMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 7nMpH: 7.4Assay Description:Inhibition of recombinant human dihydrofolate reductase done at 37 degree C in pH 7.4 with compoundMore data for this Ligand-Target Pair
Affinity DataKi: 94nMpH: 5.5Assay Description:Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plotMore data for this Ligand-Target Pair
Affinity DataKi: 96nMpH: 5.5Assay Description:Displacement of [3H]MTX from human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plotMore data for this Ligand-Target Pair
Affinity DataKi: 340nMAssay Description:Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthaseMore data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataKi: 340nMpH: 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(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataKi: 1.54E+3nMpH: 6.8Assay Description:Displacement of [3H]MTX from human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plotMore data for this Ligand-Target Pair
Affinity DataKi: 2.54E+3nMpH: 6.8Assay Description:Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plotMore data for this Ligand-Target Pair
TargetSerine hydroxymethyltransferase, cytosolic(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataKi: 1.91E+4nMAssay Description:Competitive inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic by spectrophotometryMore data for this Ligand-Target Pair
TargetSerine hydroxymethyltransferase, cytosolic(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataKi: 3.30E+4nMAssay Description:Inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by slope intercepts of mixed-type inhibition against compound con...More data for this Ligand-Target Pair
TargetSerine hydroxymethyltransferase, cytosolic(Homo sapiens (Human))
Sapienza University Of Rome
Curated by ChEMBL
Sapienza University Of Rome
Curated by ChEMBL
Affinity DataKi: 1.86E+5nMAssay Description:Mixed-type inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by Y-axes intercepts of mixed-type inhibition against ...More data for this Ligand-Target Pair
Affinity DataIC50: 7.60E+4nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 2.80E+3nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
Affinity DataIC50: 6.60E+3nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+5nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 430nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+3nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+5nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 460nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 7.60E+4nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 9.50E+3nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 2.80E+3nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 9.50E+3nMpH: 7.4 T: 2°CAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 9.50E+3nMpH: 7.4 T: 2°CAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
Affinity DataIC50: 7.60E+4nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 2.80E+3nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
Affinity DataIC50: 6.60E+3nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+5nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 430nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+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: 3.80E+4nMpH: 7.4Assay Description:Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 1.90E+4nMpH: 7.4Assay Description:Inhibition of human thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Toxoplasma gondii thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 7.60E+4nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore 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: >2.00E+4nMAssay Description:Inhibition of mouse recombinant GARFTaseMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 30nMAssay Description:Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of az...More data for this Ligand-Target Pair
Affinity DataIC50: 7.60E+4nMAssay Description:Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of Toxoplasma gondii TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of human DHFR by spectrophotometryMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 430nMAssay Description:Inhibition of Toxoplasma gondii DHFR by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of human TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibitory concentration against isolated Toxoplasma gondii DHFR (dihydrofolate reductase)More data for this Ligand-Target Pair
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibitory concentration against isolated human Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibitory concentration against isolated rat thymidylate synthaseMore data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Institute Of Theoretical Studies Ggmbh
Curated by ChEMBL
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibitory concentration against isolated Thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+5nMAssay Description:Inhibitory concentration against isolated Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+5nMAssay Description:Inhibitory concentration against isolated Pneumocystis carinii DHFR (Dihydrofolate reductase)More data for this Ligand-Target Pair
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductaseMore data for this Ligand-Target Pair