BDBM50232538 5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine::5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine::CHEMBL251429::D156844

SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1

InChI Key InChIKey=GYKIQIOWVKCVBP-UHFFFAOYSA-N

Data  4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50232538   

Targetm7GpppX diphosphatase(Homo sapiens (Human))
Decode Chemistry

LigandPNGBDBM50232538(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Affinity DataIC50:  7.62nM EC50:  4nMAssay Description:In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.More data for this Ligand-Target Pair
Targetm7GpppX diphosphatase(Homo sapiens (Human))
Decode Chemistry

LigandPNGBDBM50232538(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Affinity DataIC50:  0.0300nMAssay Description:Inhibition of human DcpS assessed as increase in SMN2 promoter activityMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50232538(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Affinity DataIC50: >1.25E+5nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50232538(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Affinity DataIC50:  9.38E+3nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed