BDBM18771 (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid::CB3717::CHEMBL389051::PDDF
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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 40 hits for monomerid = 18771
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
3D Structure (crystal)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: 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: 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: 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: 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
Affinity DataIC50: 150nMAssay Description:Compound was evaluated as inhibitor of human thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Compound was evaluated as inhibitor of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 72nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 72nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 9nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 90nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 180nMAssay Description:Inhibition of human recombinant thymidylate synthaseMore 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
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