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

Data  4 KI  77 IC50  3 Kd  3 EC50

PDB links: 80 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 66082   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Affinity DataIC50:  84nMAssay Description:Inhibition of Plasmodium falciparum DHFRMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
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
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Affinity DataIC50:  77.6nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Affinity DataIC50:  1.10nMAssay Description:TBDMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Affinity DataIC50:  1.29nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Affinity DataIC50:  2.29nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Affinity DataIC50:  0.891nMAssay Description:TBDMore data for this Ligand-Target Pair