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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

Data: 8 KI  80 IC50  3 Kd  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 94 hits for monomerid = 66082   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 7.92E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.38E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 2.64E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.38E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.25E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 9.90E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 8.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 9.24E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.27E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 8.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.58E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.07E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.01E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Staphylococcus aureus)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 190n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.04E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Staphylococcus aureus)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 360n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 88n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 61n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.04E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 0n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Baker's yeast)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/an/an/a 5.18E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 83n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 9.24E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bile salt export pump


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a>1.35E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.10E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.45E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.14E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.29E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.34E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 8.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 2.17E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.51E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.36E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 9.46E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 2.42E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 9.90E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.27E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.10E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.16E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 1.32E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bovine)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 7.92E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium Falciparum)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 0.891n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Plasmodium Falciparum)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 84n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 7.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3


(Human)
BDBM66082
PNG
(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
GoogleScholar
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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