BDBM18050 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid::CHEMBL34259::MTX::Methotrexate::cid_126941
SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key InChIKey=FBOZXECLQNJBKD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 269 hits for monomerid = 18050
Affinity DataIC50: 15nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 15nMAssay Description:Inhibition of Bacillus anthracis DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 80nMAssay Description:Inhibition of bovine liver DHFR measured every 1 min for 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 15nMpH: 7.1 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
Affinity DataIC50: 15.1nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
Affinity DataIC50: 24.3nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
Affinity DataIC50: 5.10nMpH: 7.0 T: 2°CAssay Description:Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay 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: 8.80nMAssay 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: 33nMAssay 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: 22nM EC50: 12.5nMpH: 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
Affinity DataIC50: 6.60nMpH: 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: 11nMpH: 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: 9.00E+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: 2.90E+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: 1.80E+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: 6.60nMpH: 7.4 T: 2°CAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
Affinity DataIC50: 22nM EC50: 13.3nMAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG...)
University of Connecticut At Storrs
University of Connecticut At Storrs
Affinity DataIC50: 24nMpH: 7.0 T: 2°CAssay Description:Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay 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: 8.80nMAssay 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: 33nMAssay 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 DataEC50: 1nMAssay Description:CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).More data for this Ligand-Target Pair
Affinity DataIC50: 3.40nMAssay Description:Inhibition activity using bovine dihydrofolate reductase (DHFR).More data for this Ligand-Target Pair
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 3.59E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
TargetTegument protein VP16(HHV-1)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 3.59E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 3.59E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
Affinity DataIC50: 18nMpH: 7.5Assay Description:The recombinant human (rh) DHFR was purchased from Sigma-Aldrich (Shanghai, China). All rhDHFR enzymes were assayed spectrophotometrically in a solut...More data for this Ligand-Target Pair
Affinity DataIC50: 80nMpH: 7.4 T: 2°CAssay Description:The assay mixture contained 50 μM Tris-HCl buffer (pH 7.4), 50 μM NADPH, 10 μl DMSO or the same volume of DMSO solution containing the...More data for this Ligand-Target Pair
Affinity DataIC50: 1.5nMAssay Description:Inhibition of dihydrofolate reductase (unknown origin) using dihydrofolic acid as substrate by spectrophotometryMore data for this Ligand-Target Pair
Affinity DataIC50: 16nMAssay Description:Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 2)More data for this Ligand-Target Pair
Affinity DataIC50: 30nMAssay Description:Inhibitory activity towards dihydrofolate reductase derived from human manca leukemia cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphoblasts was determined spectrophotometrically at 340 nM.More data for this Ligand-Target Pair
Affinity DataIC50: 3.90nMAssay Description:Compound was tested for its inhibitory activity on Recombinant Human Dihydrofolate Reductase.More data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Compound was evaluated for Dihydrofolate Reductase (DHFR) inhibitionMore data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).More data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from human cells (WI-L2/M4).More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 9.60nMAssay Description:Ability to inhibit Lactobacillus casei dihydrofolate reductase in vitro was determinedMore data for this Ligand-Target Pair
Affinity DataIC50: 4.00E+4nMAssay Description:Ability to inhibit Lactobacillus casei thymidylate synthase in vitro was determinedMore data for this Ligand-Target Pair
Affinity DataIC50: 8.60E+4nMAssay Description:Inhibitory activity against thymidylate synthase of Lactobacillus caseiMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibitory activity against AICAR formyltransferase of Lactobacillus caseiMore data for this Ligand-Target Pair
Affinity DataIC50: 1.20E+5nMAssay Description:Evaluated for inhibition of thymidylate synthase (TS) from Lactobacillus caseiMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Mouse)
Southern Research Institute
Curated by ChEMBL
Southern Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of GAR transformylase from mammalian L1210 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 7.50E+4nMAssay Description:In vitro inhibition of activity against Lactobacillus casei enzyme thymidylate synthaseMore data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.30nMAssay Description:In vitro ability to inhibit the Dihydrofolate reductase extracted from beef liver.More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibitory activity towards dihydrofolate reductase in L1210 murine leukemia cell linesMore data for this Ligand-Target Pair