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-ZDUSSCGKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 87 hits for monomerid = 66082
Affinity DataKi: 0nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.0100nMAssay Description:Inhibition of DHFR (unknown origin)More 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 DataKi: 4.62E+5nMAssay Description:TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More 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 DataEC50: >5.00E+5nMAssay Description:Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...More data for this Ligand-Target Pair
Affinity DataIC50: 7.92E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and rabbit IgG (NRG) in expe...More data for this Ligand-Target Pair
Affinity DataIC50: 1.07E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG)and IgG1 in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.58E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 8.80E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and Dal K-20 in experime...More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 9.24E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and rabbit IgG (NRG) in expe...More data for this Ligand-Target Pair
Affinity DataIC50: 8.80E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (7 M/M of IgG)and Dal K-20 in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 9.90E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and Dal K-20 in experime...More data for this Ligand-Target Pair
Affinity DataIC50: 1.25E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.38E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG) and rabbit IgG (NRG) in experiment 2More 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
Affinity DataIC50: 1.38E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 1.01E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and rabbit IgG (NRG) in expe...More data for this Ligand-Target Pair
Affinity DataIC50: 7.92E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and IgG1 in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.32E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 1.16E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (7 M/M of IgG) and rabbit IgG (NRG) in...More data for this Ligand-Target Pair
Affinity DataIC50: 1.27E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (4 M/M of IgG) and rabbit IgG (NRG) in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 9.90E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (7 M/M of IgG)and Dal K-20 in experiment 1More 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: 9.46E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.36E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (7 M/mL of IgG) and rabbit IgG (NRG) i...More data for this Ligand-Target Pair
Affinity DataIC50: 1.51E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (4 M/M of IgG) and rabbit IgG (NRG) in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 9.24E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and IgG1 in experiment 1More 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: 8.80E+4nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and rabbit IgG (NRG) in expe...More data for this Ligand-Target Pair
Affinity DataIC50: 1.34E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG)and IgG1 in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 1.29E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (5M/M of IgG) and rabbit IgG (NRG) in ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.14E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.45E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG) and rabbit IgG (NRG) in experiment 1More data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (5M/M of IgG) and rabbit IgG (NRG) in ...More data for this Ligand-Target Pair
Affinity DataIC50: 0nMAssay Description:Concentration required to inhibit Lactobacillus casei derived Dihydrofolate reductase activity by 50%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
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 22nMAssay Description:Inhibition of rat hippocampal Gamma-aminobutyric acid type B receptor (weak agonist)More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...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
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: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
East China University of Science and Technology
Curated by ChEMBL
East China University of Science and Technology
Curated by ChEMBL
Affinity DataIC50: 84nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair