BDBM80789 8-[(1-allyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]quinoline::8-[(2-allyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline::8-[(5-nitro-2-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]quinoline::8-[(5-nitro-2-prop-2-enyl-1,2,4-triazol-3-yl)thio]quinoline::MLS000662750::SMR000270197::cid_805756

SMILES [O-][N+](=O)c1nc(Sc2cccc3cccnc23)n(CC=C)n1

InChI Key InChIKey=JKXBHXSUFAXBAF-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80789   

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

Curated by PubChem BioAssay
LigandPNGBDBM80789(8-[(1-allyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]qui...)
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
LigandPNGBDBM80789(8-[(1-allyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]qui...)
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