BDBM50158571 2-S-[5-[N-(2,4--diaminopteridin-6-yl)methyl)-N-methyl-amino]-2,3-dihydro-1-oxo-2(1H)-isoindollyl]glutaric acid::CHEMBL224946

SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2C(=O)N(Cc2c1)[C@@H](CCC(O)=O)C(O)=O

InChI Key InChIKey=UIARGCHPFVNYFP-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158571   

TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50158571(2-S-[5-[N-(2,4--diaminopteridin-6-yl)methyl)-N-met...)
Affinity DataKi:  2.10nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReduced folate transporter(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50158571(2-S-[5-[N-(2,4--diaminopteridin-6-yl)methyl)-N-met...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of RFC-mediated [3H]MTX influx into human CCRF-CEM cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed