null
SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key InChIKey=LTKHPMDRMUCUEB-IBGZPJMESA-N
PDB links: 27 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 60 hits for monomerid = 18771
Affinity DataKi: 3.40nMAssay Description:Binding affinity against Thymidylate synthase was measured in vitroMore data for this Ligand-Target Pair
Affinity DataKi: 7nMAssay Description:Compound was evaluated for the alpha-Adrenoceptor pA2 blocking activity in vitro in rabbit thoracic aortaMore data for this Ligand-Target Pair
Affinity DataKi: 10nMAssay Description:Compound was tested for inhibition of Thymidylate Synthase in L. casei,More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 30nM ΔG°: -10.1kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 30nMAssay 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 DataKi: 60nM ΔG°: -9.68kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 60nM ΔG°: -9.68kcal/molepH: 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 DataKi: 60nMAssay 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 DataKi: 60nM ΔG°: -9.68kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 75nMAssay Description:Inhibitory activity against Dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Università di Modena e Reggio Emilia
Università di Modena e Reggio Emilia
Affinity DataKi: 80nM ΔG°: -9.51kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 240nM ΔG°: -8.87kcal/molepH: 7.0 T: 2°CAssay Description:The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ...More data for this Ligand-Target Pair
Affinity DataKi: 1.00E+3nMAssay Description:Binding affinity against thymidylate synthase from murine leukemia L1210More data for this Ligand-Target Pair
Affinity DataKi: 2.00E+4nMAssay Description:Binding affinity against human enzyme thymidylate synthase derived from either HeLa or KB cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 85nMpH: 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 18nMAssay 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: 19nMAssay 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: 430nMAssay 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: 1.90E+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+4nMAssay 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: 220nMAssay 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: 100nMAssay 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: 72nMAssay 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: 220nMpH: 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+4nMpH: 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: 1.90E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 220nMAssay 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+4nMAssay 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: 20nMAssay Description:Concentration of the compound required to inhibit 50% activity of Thymidylate synthase was determinedMore data for this Ligand-Target Pair
Affinity DataIC50: 37nMAssay Description:Ability to inhibit thymidylate synthase derived from human leukemia K562 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90E+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: 20nMAssay Description:Inhibition of thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 36nMAssay Description:Compound was evaluated for the inhibition at a given concentration against Lactobacillus casei TSMore data for this Ligand-Target Pair
Affinity DataIC50: 36nMAssay Description:Compound was evaluated for the inhibition at a given concentration against recombinant human TSMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 64nMAssay 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: 48nMAssay 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: 72nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Duquesne University
Affinity DataIC50: 260nMAssay Description:Inhibition of Toxoplasma gondii DHFR by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+4nMAssay 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: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: 20nMAssay Description:In vitro inhibitory activity against thymidylate synthase (TS) from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 150nMAssay Description:Inhibitory concentration against isolated Thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 55nMAssay Description:Inhibitory concentration against isolated Lactobacillus casei Thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 360nMAssay Description:Inhibitory concentration against isolated rat thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibitory concentration against isolated Escherichia coli Thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibitory activity against human thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibitory activity against recombinant Pneumocystis carinii TSMore data for this Ligand-Target Pair
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibitory activity against Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 55nMAssay Description:Compound was evaluated as inhibitor of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair