BDBM42310 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(3-pyridyl)quinazolin-4-yl]amine::MLS000058502::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(3-pyridinyl)-4-quinazolinamine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-yl-quinazolin-4-amine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine::SMR000068089::US10167270, Example 3::cid_2999577

SMILES CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1

InChI Key InChIKey=JFOVNJQCUHRYOI-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 3 hits for monomerid = 42310   

TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42310(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...)
Affinity DataEC50:  2.65E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42310(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...)
Affinity DataIC50:  1.78E+3nMAssay Description:The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM42310(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...)
Affinity DataIC50:  5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay