BDBM80697 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazole::2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(2-methylbenzyl)thio]-1,3,4-thiadiazole::2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazole::5,7-dimethyl-2-[({5-[(2-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidine::MLS000324514::SMR000160790::cid_1018103

SMILES Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4C)s3)nc2n1

InChI Key InChIKey=QZSVUWSIYNPVEC-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80697   

TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80697(5,7-dimethyl-2-[({5-[(2-methylbenzyl)sulfanyl]-1,3...)
Affinity DataIC50: 5.17E+3nMAssay 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
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PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80697(5,7-dimethyl-2-[({5-[(2-methylbenzyl)sulfanyl]-1,3...)
Affinity DataIC50: 3.71E+3nMAssay 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