BDBM50028981 2-{4-[2-(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)ethylamino]phenylcarboxamido}-(2S)-pentanedioic acid::CHEMBL12213::KETOTREXATE

SMILES CN1C(CCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12

InChI Key InChIKey=KCPBTDJBDDCNQE-KZUDCZAMSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028981   

TargetC-1-tetrahydrofolate synthase, cytoplasmic(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50028981(2-{4-[2-(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahy...)
Affinity DataKi:  4.10E+4nMAssay Description:Compound was tested for in vitro inhibition of 5,10-Methylene Tetrahydrofolate Cyclohydrolase ,competitive against (+)-L-5,10-methenyltetrahydrofolat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed