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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Methylenetetrahydrofolate dehydrogenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methylenetetrahydrofolate dehydrogenase


(Homo sapiens)
BDBM50028981
PNG
(2-{4-[2-(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahy...)
Show SMILES CN1C(CCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/t13?,14-/m0/s1
PDB
MMDB

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PubMed
4.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of 5,10-Methylene Tetrahydrofolate Cyclohydrolase ,competitive against (+)-L-5,10-methenyltetrahydrofolat...


J Med Chem 24: 1086-8 (1981)

More data for this
Ligand-Target Pair