BDBM66082 (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate::(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate::(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate::(2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate::L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS]::MLS001401431::SMR000449324::US11530198, Example Methotrexate::cid_165528
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 94 hits for monomerid = 66082
Affinity DataKi: 0.0100nMAssay Description:Inhibition of DHFR (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 0.195nMAssay Description:Binding affinity against Dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
Affinity DataIC50: 2nMAssay Description:Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate preincubated for 1 min followed by DHF addition and mea...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
Affinity DataIC50: 3nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 4.70nMAssay Description:Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...More data for this Ligand-Target Pair
Affinity DataIC50: 5nMAssay Description:Inhibition of recombinant human DHFR measured by spectrophotometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay Description:Inhibition of DHFR in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assayMore data for this Ligand-Target Pair
Affinity DataIC50: 7.10nMAssay Description:Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs over 6 mins by spect...More data for this Ligand-Target Pair
Affinity DataIC50: 7.90nMAssay Description:Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Jamia Hamdard
Curated by ChEMBL
Jamia Hamdard
Curated by ChEMBL
Affinity DataIC50: 8.80nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli BL21(DE3) assessed as reduction in consumption of NADPH using DHF a...More data for this Ligand-Target Pair
TargetBifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3(Human)
Hebei Medical University
Curated by ChEMBL
Hebei Medical University
Curated by ChEMBL
Affinity DataIC50: 10nMAssay Description:Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay Description:Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viabili...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of DHFR in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs in presence of folic acid by Cell-...More data for this Ligand-Target Pair
Affinity DataIC50: 22nMAssay Description:Inhibition of human DHFR using dihydrofolate as substrate by spectrophotometric methodMore data for this Ligand-Target Pair
TargetHigh mobility group protein B1(Human)
The Feinstein Institute For Medical Research
Curated by ChEMBL
The Feinstein Institute For Medical Research
Curated by ChEMBL
Affinity DataKd: 24nMAssay Description:Binding affinity to N-terminal 6His-tagged HMGB1 Bj region (88 to 181 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assayMore data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of recombinant human DHFR using dihydrofolic acid as substrate in presence of NADPH after 15 mins by microplate reader analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 31nMAssay Description:Inhibition of recombinant human DHFR using dihydrofolate as substrate after 15 mins in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay Description:Inhibition of recombinant human DHFR using dihydrofolate as substrate after 15 mins in presence of NADPHMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Jamia Hamdard
Curated by ChEMBL
Jamia Hamdard
Curated by ChEMBL
Affinity DataIC50: 35nMAssay Description:Inhibition of Mycobacterium tuberculosis His-tagged DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs ...More data for this Ligand-Target Pair
Affinity DataIC50: 61nMAssay Description:Inhibition of recombinant human DHFR expressed in Escherichia coli incubated for 15 mins and measured by ELISAMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
Affinity DataIC50: 78nMAssay Description:Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
Affinity DataIC50: 83nMAssay Description:Inhibition of recombinant human DHFR using dihydrofolate as substrate in presence of NADPHMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Vyera Pharmaceuticals
US Patent
Vyera Pharmaceuticals
US Patent
Affinity DataIC50: 84nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
Affinity DataIC50: 88nMAssay Description:Inhibition of DHFR (unknown origin) incubated for 2 to 5 mins by absorbance based analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 106nMAssay Description:Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...More data for this Ligand-Target Pair
Affinity DataIC50: 114nMAssay Description:Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c...More data for this Ligand-Target Pair
Affinity DataIC50: 121nMAssay Description:Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viabi...More data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:Inhibition of Staphylococcus aureus dihydrofolate reductase using dihydrofolate as substrate in presence of NADPH by microplate reader analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 211nMAssay Description:Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...More data for this Ligand-Target Pair
Affinity DataIC50: 216nMAssay Description:Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c...More data for this Ligand-Target Pair
Affinity DataIC50: 360nMAssay Description:Inhibition of Staphylococcus aureus DHFR preincubated for 5 mins followed by dihydrofolic acid addition and measured for 10 mins by absorbance based ...More data for this Ligand-Target Pair
TargetHigh mobility group protein B1(Human)
The Feinstein Institute For Medical Research
Curated by ChEMBL
The Feinstein Institute For Medical Research
Curated by ChEMBL
Affinity DataKd: 500nMAssay Description:Binding affinity to N-terminal 6His-tagged HMGB1 AI region (1 to 87 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assayMore data for this Ligand-Target Pair
TargetBifunctional purine biosynthesis protein ATIC(Human)
Wayne State University School of Medicine
Curated by ChEMBL
Wayne State University School of Medicine
Curated by ChEMBL
Affinity DataKi: 880nMAssay Description:Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human dihydrofolate reductase using dihydrofolic acid as substrate preincubated for 1 hr in presence of NADPH followed by substrate add...More data for this Ligand-Target Pair
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of TLR4 (unknown origin) using TMB as substrate incubated for 90 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of TLR4 (unknown origin) by sandwich ELISA methodMore data for this Ligand-Target Pair
Affinity DataEC50: 5.18E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.17E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by free MTX in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 2.42E+4nMAssay Description:Concentration required for inhibition of beef liver dihydrofolate reductaseMore data for this Ligand-Target Pair
Affinity DataIC50: 2.64E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by free MTX in experiment 1More data for this Ligand-Target Pair
