BDBM80731 MLS001218949::N'-(1,3-benzodioxol-5-yl)-N'-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-N-(2-pyridyl)succinamide::N'-(1,3-benzodioxol-5-yl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-pyridin-2-yl-butanediamide::N'-(1,3-benzodioxol-5-yl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-pyridinyl)butanediamide::N'-(1,3-benzodioxol-5-yl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide::N-Benzo[1,3]dioxol-5-yl-N-[(4-fluoro-benzylcarbamoyl)-methyl]-N'-pyridin-2-yl-succinamide::SMR000600492::cid_3204843

SMILES Fc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2ccc3OCOc3c2)cc1

InChI Key InChIKey=ATRGLUOXQMZJIC-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80731   

TargetHexokinase-1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80731(MLS001218949 | N'-(1,3-benzodioxol-5-yl)-N'-[2-[(4...)
Affinity DataEC50: >8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80731(MLS001218949 | N'-(1,3-benzodioxol-5-yl)-N'-[2-[(4...)
Affinity DataIC50:  8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay