BDBM18069 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine::CHEMBL22::TMP::Trimethoprim::Trimethoprim (TMP)::US10870625, Compound TMP
SMILES COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
InChI Key InChIKey=IEDVJHCEMCRBQM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 280 hits for monomerid = 18069
Affinity DataKi: 0.00600nMAssay Description:Binding affinity to DHFR (unknown origin) by NMR analysisMore data for this Ligand-Target Pair
Affinity DataKi: 0.220nMAssay Description:Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrof...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
Affinity DataKi: 0.590nMAssay Description:Inhibition of wild type Plasmodium falciparum DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry...More data for this Ligand-Target Pair
Affinity DataKi: 1.20nMAssay Description:Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometr...More data for this Ligand-Target Pair
Affinity DataKi: 1.24nMAssay Description:Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...More data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Antibacterial activity against Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Binding affinity for Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Binding affinity against Dihydrofolate reductase of Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)More data for this Ligand-Target Pair
Affinity DataKi: 1.30nMAssay Description:Apparent binding affinity against Dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKi: 1.35nMAssay Description:Inhibition constant against binding of Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 3nMAssay Description:Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). More data for this Ligand-Target Pair
Affinity DataKi: 3.40nMAssay Description:Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dih...More data for this Ligand-Target Pair
Affinity DataKi: 3.40nMAssay Description:Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy...More data for this Ligand-Target Pair
Affinity DataKi: 3.80nMAssay Description:Inhibition constant against Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 4.40nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5nMAssay Description:Inhibition against dihydrofolate reductase enzyme of Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKi: 5.10nMAssay Description:Antibacterial activity against Staphylococcus aureus DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 5.90nMAssay Description:Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.More data for this Ligand-Target Pair
Affinity DataIC50: 7nMpH: 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: 7nMpH: 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University
Curated by ChEMBL
Duquesne University
Curated by ChEMBL
Affinity DataIC50: 7.20nMAssay Description:Inhibitory activity against recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)More data for this Ligand-Target Pair
Affinity DataKi: 8.30nMAssay Description:Inhibitory activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 10nMAssay Description:Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric methodMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
Affinity DataIC50: 10nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay 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: 10nMAssay Description:Inhibition of recombinant Dihydrofolate reductase from humans.More data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay 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: 10nMAssay Description:Inhibition of Escherichia coli DHFRMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
Affinity DataKi: 10.3nMAssay Description:Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
National Center for Genetic Engineering and Biotechnology (BIOTEC)
Curated by ChEMBL
Affinity DataKi: 10.3nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
Affinity DataIC50: 14.4nMAssay Description:Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assayMore data for this Ligand-Target Pair
Affinity DataIC50: 15nMAssay Description:Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMpH: 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: 23nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Antibacterial activity against TMP-Resistant Dihydrofolate reductase from Staphylococcus aureus 157/4696More data for this Ligand-Target Pair
Affinity DataIC50: 37nMAssay Description:Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataKi: 40nM ΔG°: -10.3kcal/mole IC50: 600nMpH: 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: 46nMAssay Description:Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined (reported by workers at Hoffman-LaRoche)More data for this Ligand-Target Pair
Affinity DataIC50: 54nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei (lcDHFR)More data for this Ligand-Target Pair
Affinity DataIC50: 54nMAssay Description:Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR)More data for this Ligand-Target Pair
Affinity DataIC50: 57nMAssay Description:Inhibition of Escherichia coli DHFR incubated for 10 mins in presence of NADPH by absorbance based analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 75nMAssay Description:Inhibitory activity against TMP-susceptible DHFR from Staphylococcus pneumoniae ATCC 49619More data for this Ligand-Target Pair
Affinity DataIC50: 75nMpH: 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

3D Structure (crystal)