BDBM50158569 2-S-[5-[2,4-diaminopteridin-6-yl)methyamino]-2,3-dihydro-1-oxo--2(1H)-isoindolyl glutaric acid::CHEMBL390990

SMILES Nc1nc(N)c2nc(CNc3ccc4C(=O)N(Cc4c3)[C@@H](CCC(O)=O)C(O)=O)cnc2n1

InChI Key InChIKey=NYPQVENKFXVRKJ-ZDUSSCGKSA-N

Data  2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158569   

TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50158569(2-S-[5-[2,4-diaminopteridin-6-yl)methyamino]-2,3-d...)
Affinity DataKi:  0.0340nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReduced folate transporter(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50158569(2-S-[5-[2,4-diaminopteridin-6-yl)methyamino]-2,3-d...)
Affinity DataKi:  280nMAssay Description:Inhibition of RFC-mediated [3H]MTX influx into human CCRF-CEM cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed