BDBM50158570 2-R,S-[5-[(2,4-diaminopteridin-6-yl)methylamino]-2,3-dihydro-1-oxo-2(1H)-isoindolyl]glutaric acid::CHEMBL388501

SMILES Nc1nc(N)c2nc(CNc3ccc4C(=O)N(Cc4c3)C(CCC(O)=O)C(O)=O)cnc2n1

InChI Key InChIKey=NYPQVENKFXVRKJ-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 = 50158570   

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

Curated by ChEMBL
LigandPNGBDBM50158570(2-R,S-[5-[(2,4-diaminopteridin-6-yl)methylamino]-2...)
Affinity DataKi:  0.0770nMAssay 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
LigandPNGBDBM50158570(2-R,S-[5-[(2,4-diaminopteridin-6-yl)methylamino]-2...)
Affinity DataKi:  530nMAssay Description:Inhibition of RFC-mediated [3H]MTX influx into human CCRF-CEM cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed